4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide

C15H18BrN3OS — CID 119295773

IUPAC4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(Cc2cnc(NC(=O)CCCN)s2)ccc1Br
InChIInChI=1S/C15H18BrN3OS/c1-10-7-11(4-5-13(10)16)8-12-9-18-15(21-12)19-14(20)3-2-6-17/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,19,20)
InChIKeyQWEOPURAZCOMSU-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.48
Rot. Bonds6

About 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide

4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 119295773) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID119295773
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC Name4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCc1cc(Cc2cnc(NC(=O)CCCN)s2)ccc1Br
InChIInChI=1S/C15H18BrN3OS/c1-10-7-11(4-5-13(10)16)8-12-9-18-15(21-12)19-14(20)3-2-6-17/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,19,20)
InChIKeyQWEOPURAZCOMSU-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-(carbamoylamino)pentanamide
CID 60515117
3-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122093549
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55843482
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 52648387
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 55845141
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
4-acetyl-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 55845271
N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-butanoylpiperidine-4-carboxamide
CID 55880655
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
CID 166226064

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide (CID 119295773) is 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide is Cc1cc(Cc2cnc(NC(=O)CCCN)s2)ccc1Br.
What is the InChIKey of 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is QWEOPURAZCOMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-10-7-11(4-5-13(10)16)8-12-9-18-15(21-12)19-14(20)3-2-6-17/h4-5,7,9H,2-3,6,8,17H2,1H3,(H,18,19,20).
What are the key properties of 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?
4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 368.30 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 119295773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).