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

C16H18N6S — CID 110099523

IUPAC4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1
InChIInChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKGEDPBBPWWVTNY-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.97
Rot. Bonds4

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

4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099523) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099523
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1
InChIInChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyKGEDPBBPWWVTNY-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 56887554
2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70785862
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 73439470
5'-methyl-1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H,3'H-2,4'-biimidazole
CID 56868337
5'-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H,3'H-2,4'-biimidazole
CID 56874920
5'-methyl-1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70723298
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
CID 118741770
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138386644
(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
4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 50983575
2'-ethyl-5'-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H,3'H-2,4'-biimidazole
CID 56705549

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099523) is 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc[nH]2)cc(C2CCCN2Cc2cscn2)n1.
What is the InChIKey of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KGEDPBBPWWVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-20-13(7-14(21-11)16-17-4-5-18-16)15-3-2-6-22(15)8-12-9-23-10-19-12/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).