5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole

C9H15NS2 — CID 115886779

IUPAC5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
SMILESCc1cnc(CSCC(C)C)s1
InChIInChI=1S/C9H15NS2/c1-7(2)5-11-6-9-10-4-8(3)12-9/h4,7H,5-6H2,1-3H3
InChIKeyDQXDBVHIPJIWPL-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.34
Rot. Bonds4

About 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole

5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole (PubChem CID 115886779) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
PubChem CID115886779
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
SMILESCc1cnc(CSCC(C)C)s1
InChIInChI=1S/C9H15NS2/c1-7(2)5-11-6-9-10-4-8(3)12-9/h4,7H,5-6H2,1-3H3
InChIKeyDQXDBVHIPJIWPL-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(prop-2-ynylsulfanylmethyl)-1,3-thiazole
CID 130709657
5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
CID 130670824
5-tert-butyl-2-[2-(2-methylpropylsulfanyl)ethyl]-1,3-thiazole
CID 129256857
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
CID 79839547
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
3-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133484381
[5-(2-methylpropylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062043
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-pyrazol-1-ylbutan-2-amine
CID 114270882
2-methyl-1-(2-methylpropyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111511667

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole (CID 115886779) is 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole is Cc1cnc(CSCC(C)C)s1.
What is the InChIKey of 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
The InChIKey is DQXDBVHIPJIWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-7(2)5-11-6-9-10-4-8(3)12-9/h4,7H,5-6H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole?
5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole has a molecular weight of 201.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 115886779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).