N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide

C11H17N3OS — CID 81485764

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(CN)C2CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-7-13-9(5-16-7)10(15)14-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyZMUXVYUNYVXZAQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.31
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 81485764) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID81485764
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(CN)C2CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-7-13-9(5-16-7)10(15)14-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyZMUXVYUNYVXZAQ-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119574434
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119572444
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 81486871
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
2-amino-2-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 130757840
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 113283485
N-(1-amino-2-cyclopropylpropan-2-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119575724
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromothiophene-2-carboxamide;hydrochloride
CID 119572469
N-(1-amino-2-cyclopropylpropan-2-yl)quinoxaline-2-carboxamide;dihydrochloride
CID 119572354
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 81485764) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)(CN)C2CC2)cs1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZMUXVYUNYVXZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-13-9(5-16-7)10(15)14-11(2,6-12)8-3-4-8/h5,8H,3-4,6,12H2,1-2H3,(H,14,15).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.31, 4 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)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81485764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).