(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide

C17H18N6O2S — CID 155515737

IUPAC(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
SMILESCC(=O)Nc1nc(-c2cccc(NC(=O)[C@H](N)Cc3cnc[nH]3)c2)cs1
InChIInChI=1S/C17H18N6O2S/c1-10(24)21-17-23-15(8-26-17)11-3-2-4-12(5-11)22-16(25)14(18)6-13-7-19-9-20-13/h2-5,7-9,14H,6,18H2,1H3,(H,19,20)(H,22,25)(H,21,23,24)/t14-/m1/s1
InChIKeyKIASXOAQBPONKU-CQSZACIVSA-N
MW370.44 g/mol
LogP2.00
Rot. Bonds6

About (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide

(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide (PubChem CID 155515737) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
PubChem CID155515737
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
SMILESCC(=O)Nc1nc(-c2cccc(NC(=O)[C@H](N)Cc3cnc[nH]3)c2)cs1
InChIInChI=1S/C17H18N6O2S/c1-10(24)21-17-23-15(8-26-17)11-3-2-4-12(5-11)22-16(25)14(18)6-13-7-19-9-20-13/h2-5,7-9,14H,6,18H2,1H3,(H,19,20)(H,22,25)(H,21,23,24)/t14-/m1/s1
InChIKeyKIASXOAQBPONKU-CQSZACIVSA-N
XLogP2.00
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide (CID 155515737) is (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide is CC(=O)Nc1nc(-c2cccc(NC(=O)[C@H](N)Cc3cnc[nH]3)c2)cs1.
What is the InChIKey of (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is KIASXOAQBPONKU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10(24)21-17-23-15(8-26-17)11-3-2-4-12(5-11)22-16(25)14(18)6-13-7-19-9-20-13/h2-5,7-9,14H,6,18H2,1H3,(H,19,20)(H,22,25)(H,21,23,24)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide?
(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 370.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 155515737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).