4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride

C16H16ClN7S — CID 155941142

IUPAC4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride
SMILESCc1nc(-c2nccn2Cc2csc(-c3ncccn3)n2)cn1C.Cl
InChIInChI=1S/C16H15N7S.ClH/c1-11-20-13(9-22(11)2)15-19-6-7-23(15)8-12-10-24-16(21-12)14-17-4-3-5-18-14;/h3-7,9-10H,8H2,1-2H3;1H
InChIKeyAJZDDKGJNKWQOJ-UHFFFAOYSA-N
MW373.87 g/mol
LogP2.98
Rot. Bonds4

About 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride

4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride (PubChem CID 155941142) has the molecular formula C16H16ClN7S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride
PubChem CID155941142
Molecular FormulaC16H16ClN7S
Molecular Weight373.87 g/mol
Exact Mass373.09
IUPAC Name4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride
SMILESCc1nc(-c2nccn2Cc2csc(-c3ncccn3)n2)cn1C.Cl
InChIInChI=1S/C16H15N7S.ClH/c1-11-20-13(9-22(11)2)15-19-6-7-23(15)8-12-10-24-16(21-12)14-17-4-3-5-18-14;/h3-7,9-10H,8H2,1-2H3;1H
InChIKeyAJZDDKGJNKWQOJ-UHFFFAOYSA-N
XLogP2.98
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2,6-difluorophenyl)-3-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 155493383
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
(2S,6R)-2,6-dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94380497
2-propan-2-yl-4-[(2-thiophen-2-ylimidazol-1-yl)methyl]-1,3-thiazole
CID 115917986
4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
CID 43320562
2-methyl-6-[1-(pyridin-2-ylmethyl)imidazol-2-yl]pyridine
CID 156586380
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 47052375
3-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 47058114
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride (CID 155941142) is 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride is Cc1nc(-c2nccn2Cc2csc(-c3ncccn3)n2)cn1C.Cl.
What is the InChIKey of 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride?
The InChIKey is AJZDDKGJNKWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S.ClH/c1-11-20-13(9-22(11)2)15-19-6-7-23(15)8-12-10-24-16(21-12)14-17-4-3-5-18-14;/h3-7,9-10H,8H2,1-2H3;1H.
What are the key properties of 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride?
4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride has a molecular weight of 373.87 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 155941142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).