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

C16H21N3OS — CID 61273999

IUPAC2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccc(NC(=O)C(N)CC(C)C)cc2)cs1
InChIInChI=1S/C16H21N3OS/c1-10(2)8-14(17)16(20)19-13-6-4-12(5-7-13)15-9-21-11(3)18-15/h4-7,9-10,14H,8,17H2,1-3H3,(H,19,20)
InChIKeyYIHCWLSAXPYKDB-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds5

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

2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (PubChem CID 61273999) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
PubChem CID61273999
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccc(NC(=O)C(N)CC(C)C)cc2)cs1
InChIInChI=1S/C16H21N3OS/c1-10(2)8-14(17)16(20)19-13-6-4-12(5-7-13)15-9-21-11(3)18-15/h4-7,9-10,14H,8,17H2,1-3H3,(H,19,20)
InChIKeyYIHCWLSAXPYKDB-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide (CID 61273999) is 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is Cc1nc(-c2ccc(NC(=O)C(N)CC(C)C)cc2)cs1.
What is the InChIKey of 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
The InChIKey is YIHCWLSAXPYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(2)8-14(17)16(20)19-13-6-4-12(5-7-13)15-9-21-11(3)18-15/h4-7,9-10,14H,8,17H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide?
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide has a molecular weight of 303.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 61273999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).