4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole

C15H14ClN3S — CID 43320562

IUPAC4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1nccn1Cc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C15H14ClN3S/c1-11-17-6-7-19(11)9-12-2-4-13(5-3-12)15-18-14(8-16)10-20-15/h2-7,10H,8-9H2,1H3
InChIKeyUXXSITJQAMOCLZ-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.10
Rot. Bonds4

About 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole

4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole (PubChem CID 43320562) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
PubChem CID43320562
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1nccn1Cc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C15H14ClN3S/c1-11-17-6-7-19(11)9-12-2-4-13(5-3-12)15-18-14(8-16)10-20-15/h2-7,10H,8-9H2,1H3
InChIKeyUXXSITJQAMOCLZ-UHFFFAOYSA-N
XLogP4.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-methylimidazol-2-one
CID 80580310
[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 70515805
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
1-[[3-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-2-one
CID 43320542
4-(2-chloroethyl)-2-(4-ethylphenyl)-1,3-thiazole
CID 82087844
ethane;4-[(2-methylimidazol-1-yl)methyl]benzaldehyde
CID 155737371
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
4-[(2-methylimidazol-1-yl)methyl]-1,2-thiazole
CID 167974093
4-(chloromethyl)-2-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]-1,3-thiazole
CID 103536540
2-bromo-5-[(2-methylimidazol-1-yl)methyl]aniline
CID 115557276
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole (CID 43320562) is 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole is Cc1nccn1Cc1ccc(-c2nc(CCl)cs2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole?
The InChIKey is UXXSITJQAMOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-11-17-6-7-19(11)9-12-2-4-13(5-3-12)15-18-14(8-16)10-20-15/h2-7,10H,8-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole?
4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole has a molecular weight of 303.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 43320562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).