N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide

C17H22N4O2S — CID 119676269

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H22N4O2S/c1-4-10(2)15(18)16(23)21-17-20-14(9-24-17)12-5-7-13(8-6-12)19-11(3)22/h5-10,15H,4,18H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyLXJDKYVOPKVMKO-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide (PubChem CID 119676269) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
PubChem CID119676269
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H22N4O2S/c1-4-10(2)15(18)16(23)21-17-20-14(9-24-17)12-5-7-13(8-6-12)19-11(3)22/h5-10,15H,4,18H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyLXJDKYVOPKVMKO-UHFFFAOYSA-N
XLogP3.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxypropanamide
CID 46436013
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 22830494
2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119266420
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
CID 119779606
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide (CID 119676269) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide?
The InChIKey is LXJDKYVOPKVMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-10(2)15(18)16(23)21-17-20-14(9-24-17)12-5-7-13(8-6-12)19-11(3)22/h5-10,15H,4,18H2,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide has a molecular weight of 346.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide is sourced from PubChem (CID 119676269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).