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

C14H18ClN3OS — CID 119694022

IUPAC3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)CC(C)N)cc2)cs1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13;/h3-6,8-9H,7,15H2,1-2H3,(H,17,18);1H
InChIKeyDQANPQLDKXLKSX-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.22
Rot. Bonds4

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

3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (PubChem CID 119694022) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
PubChem CID119694022
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)CC(C)N)cc2)cs1.Cl
InChIInChI=1S/C14H17N3OS.ClH/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13;/h3-6,8-9H,7,15H2,1-2H3,(H,17,18);1H
InChIKeyDQANPQLDKXLKSX-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 120587411
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (CID 119694022) is 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is Cc1nc(-c2ccc(NC(=O)CC(C)N)cc2)cs1.Cl.
What is the InChIKey of 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The InChIKey is DQANPQLDKXLKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS.ClH/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13;/h3-6,8-9H,7,15H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119694022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).