4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

C11H8ClN3S2 — CID 139697878

IUPAC4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(Cc3cnc[nH]3)n2)s1
InChIInChI=1S/C11H8ClN3S2/c12-10-2-1-9(17-10)8-5-16-11(15-8)3-7-4-13-6-14-7/h1-2,4-6H,3H2,(H,13,14)
InChIKeyPRYHXQAIHHFSIX-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.84
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole

4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 139697878) has the molecular formula C11H8ClN3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID139697878
Molecular FormulaC11H8ClN3S2
Molecular Weight281.79 g/mol
Exact Mass280.98
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(Cc3cnc[nH]3)n2)s1
InChIInChI=1S/C11H8ClN3S2/c12-10-2-1-9(17-10)8-5-16-11(15-8)3-7-4-13-6-14-7/h1-2,4-6H,3H2,(H,13,14)
InChIKeyPRYHXQAIHHFSIX-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-5-ylmethyl)-4-naphthalen-2-yl-1,3-thiazole
CID 57231798
5-[(5-chlorothiophen-2-yl)methyl]-1H-imidazole
CID 20711771
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]methanamine;oxalic acid
CID 118482423
4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94281595
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 61339170
2-(1H-imidazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 64988608
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61336911
2-(2-bromophenyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 79832539
5-[(5-chlorofuran-2-yl)methyl]-1H-imidazole
CID 24953925

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 139697878) is 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is Clc1ccc(-c2csc(Cc3cnc[nH]3)n2)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is PRYHXQAIHHFSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S2/c12-10-2-1-9(17-10)8-5-16-11(15-8)3-7-4-13-6-14-7/h1-2,4-6H,3H2,(H,13,14).
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 281.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 139697878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).