N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

C17H21N3OS — CID 119573611

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2cccc(C(=O)NC(C)(CN)C3CC3)c2)n1
InChIInChI=1S/C17H21N3OS/c1-11-9-22-16(19-11)13-5-3-4-12(8-13)15(21)20-17(2,10-18)14-6-7-14/h3-5,8-9,14H,6-7,10,18H2,1-2H3,(H,20,21)
InChIKeyTXHVHIXTBYRVGN-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.98
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 119573611) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID119573611
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2cccc(C(=O)NC(C)(CN)C3CC3)c2)n1
InChIInChI=1S/C17H21N3OS/c1-11-9-22-16(19-11)13-5-3-4-12(8-13)15(21)20-17(2,10-18)14-6-7-14/h3-5,8-9,14H,6-7,10,18H2,1-2H3,(H,20,21)
InChIKeyTXHVHIXTBYRVGN-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 119606777
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110406254
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81485764
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 119573611) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(-c2cccc(C(=O)NC(C)(CN)C3CC3)c2)n1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is TXHVHIXTBYRVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-9-22-16(19-11)13-5-3-4-12(8-13)15(21)20-17(2,10-18)14-6-7-14/h3-5,8-9,14H,6-7,10,18H2,1-2H3,(H,20,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 315.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 119573611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).