4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H20N6S — CID 110099460

IUPAC4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyBTTFCHIWEWRXGG-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.70
Rot. Bonds5

About 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099460) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099460
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22)
InChIKeyBTTFCHIWEWRXGG-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-[3-(2-methylpropyl)pyrrolo[3,2-c]pyridin-1-yl]-1,3-thiazole;hydrochloride
CID 44523976
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
5'-methyl-1-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1H,3'H-2,4'-biimidazole
CID 56868337
(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-(1H-benzimidazol-2-yl)-2-[3-(2-methylpropyl)pyrrolo[3,2-c]pyridin-1-yl]-1,3-thiazole
CID 44523977
2-ethyl-5-methyl-3'-[(2-methyl-1,3-thiazol-4-yl)methyl]-5'-phenyl-3H,3'H-4,4'-biimidazole
CID 50966723
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-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H,3'H-2,4'-biimidazole
CID 56874194
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099475
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099523

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 110099460) is 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cc(CC3CCN(Cc4cscn4)C3)ncn2)[nH]1.
What is the InChIKey of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BTTFCHIWEWRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-6-18-17(22-12)16-5-14(19-10-20-16)4-13-2-3-23(7-13)8-15-9-24-11-21-15/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,22).
What are the key properties of 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).