N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C17H21ClN4O2S — CID 119676258

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CNCC3CC3)n2)cc1.Cl
InChIInChI=1S/C17H20N4O2S.ClH/c1-11(22)19-14-6-4-13(5-7-14)15-10-24-17(20-15)21-16(23)9-18-8-12-2-3-12;/h4-7,10,12,18H,2-3,8-9H2,1H3,(H,19,22)(H,20,21,23);1H
InChIKeyQXGNCFNVUQBKDG-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.13
Rot. Bonds7

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119676258) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119676258
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CNCC3CC3)n2)cc1.Cl
InChIInChI=1S/C17H20N4O2S.ClH/c1-11(22)19-14-6-4-13(5-7-14)15-10-24-17(20-15)21-16(23)9-18-8-12-2-3-12;/h4-7,10,12,18H,2-3,8-9H2,1H3,(H,19,22)(H,20,21,23);1H
InChIKeyQXGNCFNVUQBKDG-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119676258) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is CC(=O)Nc1ccc(-c2csc(NC(=O)CNCC3CC3)n2)cc1.Cl.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is QXGNCFNVUQBKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S.ClH/c1-11(22)19-14-6-4-13(5-7-14)15-10-24-17(20-15)21-16(23)9-18-8-12-2-3-12;/h4-7,10,12,18H,2-3,8-9H2,1H3,(H,19,22)(H,20,21,23);1H.
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 3.13, 7 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-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119676258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).