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

C14H13N3S2 — CID 4171231

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCn1ccnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H13N3S2/c1-17-8-7-15-14(17)19-10-12-9-18-13(16-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJGWAAKVUWFNNDD-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.84
Rot. Bonds4

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

4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 4171231) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID4171231
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCn1ccnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C14H13N3S2/c1-17-8-7-15-14(17)19-10-12-9-18-13(16-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJGWAAKVUWFNNDD-UHFFFAOYSA-N
XLogP3.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7995484
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
4-[[5-(2-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 19731871
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567
3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33337407
4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7897610
4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 17401757
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2451950
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
CID 2744330

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 4171231) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is Cn1ccnc1SCc1csc(-c2ccccc2)n1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is JGWAAKVUWFNNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-17-8-7-15-14(17)19-10-12-9-18-13(16-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 287.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 4171231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).