N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

C32H31N5O2S — CID 162653358

IUPACN-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H](CCCCNC(=O)c1ccccc1C1CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
InChIInChI=1S/C32H31N5O2S/c38-31(26-10-4-3-9-25(26)22-13-14-22)34-16-6-5-11-27(37-32(39)29-19-33-20-40-29)30-35-18-28(36-30)24-15-12-21-7-1-2-8-23(21)17-24/h1-4,7-10,12,15,17-20,22,27H,5-6,11,13-14,16H2,(H,34,38)(H,35,36)(H,37,39)/t27-/m0/s1
InChIKeyDPTRGZNSYOSURO-MHZLTWQESA-N
MW549.70 g/mol
LogP6.64
Rot. Bonds11

About N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 162653358) has the molecular formula C32H31N5O2S and a molecular weight of 549.70 g/mol. Its IUPAC name is N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
PubChem CID162653358
Molecular FormulaC32H31N5O2S
Molecular Weight549.70 g/mol
Exact Mass549.22
IUPAC NameN-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H](CCCCNC(=O)c1ccccc1C1CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
InChIInChI=1S/C32H31N5O2S/c38-31(26-10-4-3-9-25(26)22-13-14-22)34-16-6-5-11-27(37-32(39)29-19-33-20-40-29)30-35-18-28(36-30)24-15-12-21-7-1-2-8-23(21)17-24/h1-4,7-10,12,15,17-20,22,27H,5-6,11,13-14,16H2,(H,34,38)(H,35,36)(H,37,39)/t27-/m0/s1
InChIKeyDPTRGZNSYOSURO-MHZLTWQESA-N
XLogP6.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.70
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{(1S)-5-[(2-fluoro-6-hydroxybenzene-1-carbonyl)amino]-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
CID 155289404
N-{(1S)-5-{[2-(methylsulfanyl)benzene-1-carbonyl]amino}-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pentyl}-1,3-thiazole-5-carboxamide
CID 155289405
(S)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-(thiazole-5-carboxamido)heptanoic acid
CID 44574099
(S)-N-(7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl)thiazole-5-carboxamide
CID 44590158
N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 69382972
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71558638
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[[(1S)-1-phenylethyl]carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572257
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-[(1-propan-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572373
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-pyrimidin-2-ylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71573185
N-[(1S)-7-(methylamino)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221752
N-[(1S)-1-(5-isoquinolin-7-yl-1H-imidazol-2-yl)-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 74221756
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[3-(trifluoromethyl)isoquinolin-7-yl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221848

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 162653358) is N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H](CCCCNC(=O)c1ccccc1C1CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1.
What is the InChIKey of N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DPTRGZNSYOSURO-MHZLTWQESA-N. The full InChI is InChI=1S/C32H31N5O2S/c38-31(26-10-4-3-9-25(26)22-13-14-22)34-16-6-5-11-27(37-32(39)29-19-33-20-40-29)30-35-18-28(36-30)24-15-12-21-7-1-2-8-23(21)17-24/h1-4,7-10,12,15,17-20,22,27H,5-6,11,13-14,16H2,(H,34,38)(H,35,36)(H,37,39)/t27-/m0/s1.
What are the key properties of N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 549.70 g/mol, XLogP of 6.64, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-[(2-cyclopropylbenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162653358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).