4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole

C17H20N6S — CID 110099683

IUPAC4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cscn3)C2)n1
InChIInChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-18-4-5-19-17)13-3-2-6-23(8-13)9-14-10-24-11-20-14/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19)
InChIKeyURFZSCOPSZMJHM-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

About 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099683) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099683
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cscn3)C2)n1
InChIInChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-18-4-5-19-17)13-3-2-6-23(8-13)9-14-10-24-11-20-14/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19)
InChIKeyURFZSCOPSZMJHM-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104521
2-methyl-4-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridine
CID 70704927
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(methylsulfonyl)-4-(3-piperidinyl)-2-pyrimidinamine hydrochloride
CID 70713718
6-(cis-3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine
CID 91766576
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
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 67359396
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 67360626
(Z)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 136950071
(Z)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1H-imidazol-2-yl]prop-2-en-1-imine
CID 143894715

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099683) is 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc[nH]2)cc(C2CCCN(Cc3cscn3)C2)n1.
What is the InChIKey of 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is URFZSCOPSZMJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-21-15(7-16(22-12)17-18-4-5-19-17)13-3-2-6-23(8-13)9-14-10-24-11-20-14/h4-5,7,10-11,13H,2-3,6,8-9H2,1H3,(H,18,19).
What are the key properties of 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).