6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C16H19N7S — CID 70755095

IUPAC6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ncn1
InChIInChI=1S/C16H19N7S/c17-14-7-15(20-10-19-14)22-4-1-12(2-5-22)16-18-3-6-23(16)8-13-9-24-11-21-13/h3,6-7,9-12H,1-2,4-5,8H2,(H2,17,19,20)
InChIKeyKOLRJQXKTOHRGV-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.14
Rot. Bonds4

About 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 70755095) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID70755095
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ncn1
InChIInChI=1S/C16H19N7S/c17-14-7-15(20-10-19-14)22-4-1-12(2-5-22)16-18-3-6-23(16)8-13-9-24-11-21-13/h3,6-7,9-12H,1-2,4-5,8H2,(H2,17,19,20)
InChIKeyKOLRJQXKTOHRGV-UHFFFAOYSA-N
XLogP2.14
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 95823829
4-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 45833433
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
1-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 53507774
2-Pyrimidin-2-yl-4-[[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53617365
2,5-dimethyl-3-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrazine
CID 70735220
N-methyl-6-[2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72044424
4-methoxy-6-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidin-2-amine
CID 72846406
N-pyrimidin-4-yl-6-(1,3-thiazol-4-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 110139184
N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 110256862
4-Ethyl-2-[[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methyl]-1,3-thiazole
CID 136551063
5-[4-[3-(Methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139358272

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 70755095) is 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ncn1.
What is the InChIKey of 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is KOLRJQXKTOHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c17-14-7-15(20-10-19-14)22-4-1-12(2-5-22)16-18-3-6-23(16)8-13-9-24-11-21-13/h3,6-7,9-12H,1-2,4-5,8H2,(H2,17,19,20).
What are the key properties of 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 70755095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).