N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine

C16H17N7S — CID 110256862

IUPACN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine
SMILESc1cnc(N2CCCC(c3csc(Nc4cnccn4)n3)C2)nc1
InChIInChI=1S/C16H17N7S/c1-3-12(10-23(8-1)15-19-4-2-5-20-15)13-11-24-16(21-13)22-14-9-17-6-7-18-14/h2,4-7,9,11-12H,1,3,8,10H2,(H,18,21,22)
InChIKeyWJRQRSBMRJQSDM-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.85
Rot. Bonds4

About N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine

N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 110256862) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine
PubChem CID110256862
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine
SMILESc1cnc(N2CCCC(c3csc(Nc4cnccn4)n3)C2)nc1
InChIInChI=1S/C16H17N7S/c1-3-12(10-23(8-1)15-19-4-2-5-20-15)13-11-24-16(21-13)22-14-9-17-6-7-18-14/h2,4-7,9,11-12H,1,3,8,10H2,(H,18,21,22)
InChIKeyWJRQRSBMRJQSDM-UHFFFAOYSA-N
XLogP2.85
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-{4-[1-(Pyrimidin-2-YL)piperidin-4-YL]-1,3-thiazol-2-YL}pyrazin-2-amine
CID 95823829
4-(1-amino-3-methylbutyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49786650
4-[amino(cyclohexyl)methyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49792548
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
N~4~-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 56884765
6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 70755095
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 137355934
4-[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1,3-thiazole
CID 139357758
4-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-6-(4-piperidinyl)pyrimidine bis(trifluoroacetate)
CID 45195197
2,7-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50955625
2-Pyrimidin-2-yl-4-[(3-pyrimidin-4-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 71892452
6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-4-pyrimidinamine
CID 72922351

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine (CID 110256862) is N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine is c1cnc(N2CCCC(c3csc(Nc4cnccn4)n3)C2)nc1.
What is the InChIKey of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WJRQRSBMRJQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-3-12(10-23(8-1)15-19-4-2-5-20-15)13-11-24-16(21-13)22-14-9-17-6-7-18-14/h2,4-7,9,11-12H,1,3,8,10H2,(H,18,21,22).
What are the key properties of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine?
N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110256862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).