(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide

C14H17N3OS — CID 119316963

IUPAC(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)[C@H](C)N
InChIInChI=1S/C14H17N3OS/c1-9(15)13(18)16-8-12-10(2)17-14(19-12)11-6-4-3-5-7-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeySMEDFZVPGPICMK-VIFPVBQESA-N
MW275.38 g/mol
LogP2.08
Rot. Bonds4

About (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide

(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 119316963) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID119316963
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)[C@H](C)N
InChIInChI=1S/C14H17N3OS/c1-9(15)13(18)16-8-12-10(2)17-14(19-12)11-6-4-3-5-7-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeySMEDFZVPGPICMK-VIFPVBQESA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 120988848
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
2-methyl-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125158
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
2-methyl-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(1-phenylethyl)guanidine
CID 110949730
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide (CID 119316963) is (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is SMEDFZVPGPICMK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(15)13(18)16-8-12-10(2)17-14(19-12)11-6-4-3-5-7-11/h3-7,9H,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 119316963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).