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

C14H16N4O2S — CID 61273443

IUPAC2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
SMILESCc1nc(-c2ccc(NC(=O)C(N)CC(N)=O)cc2)cs1
InChIInChI=1S/C14H16N4O2S/c1-8-17-12(7-21-8)9-2-4-10(5-3-9)18-14(20)11(15)6-13(16)19/h2-5,7,11H,6,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyWIUNMUOKIXBORM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.26
Rot. Bonds5

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

2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide (PubChem CID 61273443) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
PubChem CID61273443
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
SMILESCc1nc(-c2ccc(NC(=O)C(N)CC(N)=O)cc2)cs1
InChIInChI=1S/C14H16N4O2S/c1-8-17-12(7-21-8)9-2-4-10(5-3-9)18-14(20)11(15)6-13(16)19/h2-5,7,11H,6,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyWIUNMUOKIXBORM-UHFFFAOYSA-N
XLogP1.26
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(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-(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
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
4-amino-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 120587411

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide (CID 61273443) is 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide is Cc1nc(-c2ccc(NC(=O)C(N)CC(N)=O)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide?
The InChIKey is WIUNMUOKIXBORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-17-12(7-21-8)9-2-4-10(5-3-9)18-14(20)11(15)6-13(16)19/h2-5,7,11H,6,15H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide?
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide has a molecular weight of 304.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide is sourced from PubChem (CID 61273443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).