(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide

C18H18N4O2S — CID 51593481

IUPAC(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@H]1Cc2cc(-c3csc(NC(=O)[C@H](C)n4ccnc4)n3)ccc2O1
InChIInChI=1S/C18H18N4O2S/c1-11-7-14-8-13(3-4-16(14)24-11)15-9-25-18(20-15)21-17(23)12(2)22-6-5-19-10-22/h3-6,8-12H,7H2,1-2H3,(H,20,21,23)/t11-,12-/m0/s1
InChIKeyFDKCUVZOXFDLCT-RYUDHWBXSA-N
MW354.44 g/mol
LogP3.53
Rot. Bonds4

About (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide

(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 51593481) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID51593481
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide
SMILESC[C@H]1Cc2cc(-c3csc(NC(=O)[C@H](C)n4ccnc4)n3)ccc2O1
InChIInChI=1S/C18H18N4O2S/c1-11-7-14-8-13(3-4-16(14)24-11)15-9-25-18(20-15)21-17(23)12(2)22-6-5-19-10-22/h3-6,8-12H,7H2,1-2H3,(H,20,21,23)/t11-,12-/m0/s1
InChIKeyFDKCUVZOXFDLCT-RYUDHWBXSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-imidazol-1-yl-N-[4-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide
CID 51593480
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
N-[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)propanamide
CID 46970593
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 6497060
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
2-methyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 3707611
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
(2R)-2-imidazol-1-yl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 92583155
(2R)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 30094774
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7024090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide (CID 51593481) is (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide is C[C@H]1Cc2cc(-c3csc(NC(=O)[C@H](C)n4ccnc4)n3)ccc2O1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is FDKCUVZOXFDLCT-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-7-14-8-13(3-4-16(14)24-11)15-9-25-18(20-15)21-17(23)12(2)22-6-5-19-10-22/h3-6,8-12H,7H2,1-2H3,(H,20,21,23)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide?
(2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 354.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[4-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 51593481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).