N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C18H20N6S — CID 126535079

IUPACN-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C18H20N6S/c1-12-16(25-18(21-12)22-13-6-2-3-7-13)14-9-11-20-17(23-14)24-15-8-4-5-10-19-15/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,21,22)(H,19,20,23,24)
InChIKeyHMPJQPSIJCWFFX-UHFFFAOYSA-N
MW352.47 g/mol
LogP4.40
Rot. Bonds5

About N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine

N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 126535079) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID126535079
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccccn2)n1
InChIInChI=1S/C18H20N6S/c1-12-16(25-18(21-12)22-13-6-2-3-7-13)14-9-11-20-17(23-14)24-15-8-4-5-10-19-15/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,21,22)(H,19,20,23,24)
InChIKeyHMPJQPSIJCWFFX-UHFFFAOYSA-N
XLogP4.40
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 126535079) is N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccccn2)n1.
What is the InChIKey of N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is HMPJQPSIJCWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-12-16(25-18(21-12)22-13-6-2-3-7-13)14-9-11-20-17(23-14)24-15-8-4-5-10-19-15/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,21,22)(H,19,20,23,24).
What are the key properties of N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-5-[2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).