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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Related Compounds

N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
2-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoic acid
CID 63021521
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 60949049
2-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 107904478
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]acetic acid
CID 60951190
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
4-amino-3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107074564
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
N-methyl-1-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 146083931
2-amino-N,1-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide
CID 82763796

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).