2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole

C7H6ClN3S — CID 1488034

IUPAC2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(Cn2ccnc2)s1
InChIInChI=1S/C7H6ClN3S/c8-7-10-3-6(12-7)4-11-2-1-9-5-11/h1-3,5H,4H2
InChIKeyDUVLPCLPBKNVBL-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole

2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole (PubChem CID 1488034) has the molecular formula C7H6ClN3S and a molecular weight of 199.67 g/mol. Its IUPAC name is 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
PubChem CID1488034
Molecular FormulaC7H6ClN3S
Molecular Weight199.67 g/mol
Exact Mass199.00
IUPAC Name2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
SMILESClc1ncc(Cn2ccnc2)s1
InChIInChI=1S/C7H6ClN3S/c8-7-10-3-6(12-7)4-11-2-1-9-5-11/h1-3,5H,4H2
InChIKeyDUVLPCLPBKNVBL-UHFFFAOYSA-N
XLogP2.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(imidazol-1-ylmethyl)-1,3-thiazole
CID 130847397
2-chloro-5-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 2764394
2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine
CID 116519118
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 104878423
2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 131142423
1-[(2-chloro-1,3-thiazol-5-yl)methyl]azepane-2,7-dione
CID 79765235
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
2-chloro-5-[(3-nitropyrazol-1-yl)methyl]-1,3-thiazole
CID 79764095
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446741
5-fluoro-2-(imidazol-1-ylmethyl)pyridine
CID 126784137
5-(imidazol-1-ylmethyl)-3H-1,3,4-thiadiazole-2-thione
CID 118428593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole (CID 1488034) is 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole is Clc1ncc(Cn2ccnc2)s1.
What is the InChIKey of 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is DUVLPCLPBKNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3S/c8-7-10-3-6(12-7)4-11-2-1-9-5-11/h1-3,5H,4H2.
What are the key properties of 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole?
2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 199.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 1488034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).