4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide

C17H16N6OS — CID 58014748

IUPAC4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1
InChIInChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23)
InChIKeyMRKVTGWFUVHQOF-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.02
Rot. Bonds6

About 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 58014748) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
PubChem CID58014748
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1
InChIInChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23)
InChIKeyMRKVTGWFUVHQOF-UHFFFAOYSA-N
XLogP3.02
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
Thiazovivin
CID 46209426
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
2-[(2,6-dimethylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911267
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
(18F)Fitm
CID 53233900
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide (CID 58014748) is 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(-c3cscn3)cc2)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is MRKVTGWFUVHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c18-15(24)13-7-19-17(23-16(13)21-11-5-6-11)22-12-3-1-10(2-4-12)14-8-25-9-20-14/h1-4,7-9,11H,5-6H2,(H2,18,24)(H2,19,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 58014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).