2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole

C8H9N3S2 — CID 130702437

IUPAC2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2cnc[nH]2)n1
InChIInChI=1S/C8H9N3S2/c1-6-3-12-8(11-6)13-4-7-2-9-5-10-7/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyNFZOWSGKGPDLOX-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.47
Rot. Bonds3

About 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole

2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 130702437) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID130702437
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCc2cnc[nH]2)n1
InChIInChI=1S/C8H9N3S2/c1-6-3-12-8(11-6)13-4-7-2-9-5-10-7/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyNFZOWSGKGPDLOX-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-pyridinyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 115580564
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244
N-(1H-imidazol-5-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-amine;hydrochloride
CID 115607898
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
O-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]hydroxylamine
CID 131223188
2-[(5-bromofuran-2-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 127008971
5-N-(1H-imidazol-5-ylmethyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103348958
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 27711486
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
1-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]cyclopentan-1-ol
CID 65213237
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole (CID 130702437) is 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SCc2cnc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is NFZOWSGKGPDLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-6-3-12-8(11-6)13-4-7-2-9-5-10-7/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole?
2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 211.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 130702437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).