2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol

C9H11N3OS2 — CID 131098085

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol
SMILESCc1ncc(CN(C)c2nc(O)cs2)s1
InChIInChI=1S/C9H11N3OS2/c1-6-10-3-7(15-6)4-12(2)9-11-8(13)5-14-9/h3,5,13H,4H2,1-2H3
InChIKeyWQSVVXSDDQHHAM-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.25
Rot. Bonds3

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol (PubChem CID 131098085) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol
PubChem CID131098085
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol
SMILESCc1ncc(CN(C)c2nc(O)cs2)s1
InChIInChI=1S/C9H11N3OS2/c1-6-10-3-7(15-6)4-12(2)9-11-8(13)5-14-9/h3,5,13H,4H2,1-2H3
InChIKeyWQSVVXSDDQHHAM-UHFFFAOYSA-N
XLogP2.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol (CID 131098085) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol is Cc1ncc(CN(C)c2nc(O)cs2)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol?
The InChIKey is WQSVVXSDDQHHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-6-10-3-7(15-6)4-12(2)9-11-8(13)5-14-9/h3,5,13H,4H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol has a molecular weight of 241.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazol-4-ol is sourced from PubChem (CID 131098085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).