(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C18H20N6OS — CID 70745813

IUPAC(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H20N6OS/c1-13-16(8-19-11-21-13)18(25)23-5-2-14(3-6-23)17-20-4-7-24(17)9-15-10-26-12-22-15/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3
InChIKeyXELIBZSWHNHNBA-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.51
Rot. Bonds4

About (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70745813) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70745813
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H20N6OS/c1-13-16(8-19-11-21-13)18(25)23-5-2-14(3-6-23)17-20-4-7-24(17)9-15-10-26-12-22-15/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3
InChIKeyXELIBZSWHNHNBA-UHFFFAOYSA-N
XLogP2.51
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
(4-Ethylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819270
(4-Propan-2-ylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819271
(4-Ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819383
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
(2-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124114
2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
1-(4-Methyl-2-{[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]amino}pyrimidin-5-yl)ethanone
CID 72857560
1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72868449
2-methyl-5-({3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrazine
CID 72899785
1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72925220
[2-(Dimethylamino)pyrimidin-5-yl]-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92409119

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70745813) is (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ncncc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is XELIBZSWHNHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-16(8-19-11-21-13)18(25)23-5-2-14(3-6-23)17-20-4-7-24(17)9-15-10-26-12-22-15/h4,7-8,10-12,14H,2-3,5-6,9H2,1H3.
What are the key properties of (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).