N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C20H23N3O2S — CID 95092727

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13(2)17-18(26-20(22-17)23-11-5-6-12-23)19(24)21-14(3)15-7-9-16(25-4)10-8-15/h5-14H,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyMLGQFIFQIQBLCS-AWEZNQCLSA-N
MW369.49 g/mol
LogP4.56
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 95092727) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID95092727
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1
InChIInChI=1S/C20H23N3O2S/c1-13(2)17-18(26-20(22-17)23-11-5-6-12-23)19(24)21-14(3)15-7-9-16(25-4)10-8-15/h5-14H,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyMLGQFIFQIQBLCS-AWEZNQCLSA-N
XLogP4.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134359
N-[(1S)-1-phenylethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 95092719
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134361
N-[(2-methoxyphenyl)methyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134343
4-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53134372
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 56698718
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 53134356
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 95092727) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is COc1ccc([C@H](C)NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MLGQFIFQIQBLCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13(2)17-18(26-20(22-17)23-11-5-6-12-23)19(24)21-14(3)15-7-9-16(25-4)10-8-15/h5-14H,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95092727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).