N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide

C12H17N3OS — CID 15280155

IUPACN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1snc(C(C)C)c1C#N
InChIInChI=1S/C12H17N3OS/c1-5-8(4)11(16)14-12-9(6-13)10(7(2)3)15-17-12/h7-8H,5H2,1-4H3,(H,14,16)
InChIKeyADQCYVCRJFSUHW-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.12
Rot. Bonds4

About N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide

N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide (PubChem CID 15280155) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide
PubChem CID15280155
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1snc(C(C)C)c1C#N
InChIInChI=1S/C12H17N3OS/c1-5-8(4)11(16)14-12-9(6-13)10(7(2)3)15-17-12/h7-8H,5H2,1-4H3,(H,14,16)
InChIKeyADQCYVCRJFSUHW-UHFFFAOYSA-N
XLogP3.12
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1,1-bis(prop-2-enyl)urea
CID 134119303
3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-ethyl-1,1-dimethylguanidine
CID 134111928
3-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-1-cyclohexyl-1-propan-2-ylurea
CID 134086666
phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate
CID 134096848
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(ethylamino)-2-methylpropanamide
CID 62839281
(2S,3S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylpentanamide
CID 61254808
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
N'-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-N,N-dimethylcarbamimidoyl fluoride
CID 21426761
4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
CID 10402972
2-(aminomethyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)butanamide
CID 65229188
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885
3-chloro-5-[[(2S)-1-hydroxypropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 130687983

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide?
The IUPAC name of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide (CID 15280155) is N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide.
What is the SMILES notation for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide?
The canonical SMILES for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1snc(C(C)C)c1C#N.
What is the InChIKey of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide?
The InChIKey is ADQCYVCRJFSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-8(4)11(16)14-12-9(6-13)10(7(2)3)15-17-12/h7-8H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide?
N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide has a molecular weight of 251.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)-2-methylbutanamide is sourced from PubChem (CID 15280155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).