N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

C16H15N5OS — CID 90506013

IUPACN-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C16H15N5OS/c1-10-6-11(2)8-12(7-10)19-14(22)13-9-23-16(20-13)21-15-17-4-3-5-18-15/h3-9H,1-2H3,(H,19,22)(H,17,18,20,21)
InChIKeyBJBZASNVNXKSHB-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.55
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90506013) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90506013
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C16H15N5OS/c1-10-6-11(2)8-12(7-10)19-14(22)13-9-23-16(20-13)21-15-17-4-3-5-18-15/h3-9H,1-2H3,(H,19,22)(H,17,18,20,21)
InChIKeyBJBZASNVNXKSHB-UHFFFAOYSA-N
XLogP3.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
N-(3-methyl-1,2-thiazol-5-yl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506093
N-(3-cyanophenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506082
N-(3,5-dimethylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954928
2-(pyrimidin-2-ylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 90505988
N-(2-chloro-3-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506088
N-(2-methylpropyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505942
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90506013) is N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2csc(Nc3ncccn3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is BJBZASNVNXKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-6-11(2)8-12(7-10)19-14(22)13-9-23-16(20-13)21-15-17-4-3-5-18-15/h3-9H,1-2H3,(H,19,22)(H,17,18,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).