N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C14H15N5OS — CID 71857960

IUPACN-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C(C#N)NC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C14H15N5OS/c1-14(2,3)10(7-15)19-12(20)9-8-18-13(21-9)11-16-5-4-6-17-11/h4-6,8,10H,1-3H3,(H,19,20)
InChIKeyNTKQIUVSQNLIHB-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.27
Rot. Bonds3

About N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71857960) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71857960
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C(C#N)NC(=O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C14H15N5OS/c1-14(2,3)10(7-15)19-12(20)9-8-18-13(21-9)11-16-5-4-6-17-11/h4-6,8,10H,1-3H3,(H,19,20)
InChIKeyNTKQIUVSQNLIHB-UHFFFAOYSA-N
XLogP2.27
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47427175
N-isopropyl-5-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}pyrimidin-2-amine
CID 74240734
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 75425823
N-cyclopropyl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117084678
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120411135
N-(3-amino-2,2-difluoropropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 120411136
2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120812260
2-pyrimidin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120812261
N-methyl-2-pyrimidin-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-5-carboxamide
CID 154782020
N-(4-amino-1,1,1-trifluorobutan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 167938587

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 71857960) is N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CC(C)(C)C(C#N)NC(=O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NTKQIUVSQNLIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-14(2,3)10(7-15)19-12(20)9-8-18-13(21-9)11-16-5-4-6-17-11/h4-6,8,10H,1-3H3,(H,19,20).
What are the key properties of N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylpropyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71857960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).