4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol

C11H18N2OS2 — CID 111436780

IUPAC4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
SMILESCc1csc(CNCC2(O)CCSCC2)n1
InChIInChI=1S/C11H18N2OS2/c1-9-7-16-10(13-9)6-12-8-11(14)2-4-15-5-3-11/h7,12,14H,2-6,8H2,1H3
InChIKeyOAZCDHFJUDKRND-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.80
Rot. Bonds4

About 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol

4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol (PubChem CID 111436780) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
PubChem CID111436780
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
SMILESCc1csc(CNCC2(O)CCSCC2)n1
InChIInChI=1S/C11H18N2OS2/c1-9-7-16-10(13-9)6-12-8-11(14)2-4-15-5-3-11/h7,12,14H,2-6,8H2,1H3
InChIKeyOAZCDHFJUDKRND-UHFFFAOYSA-N
XLogP1.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 115435528
4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
CID 115641770
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 115765812
4-[[(2-phenyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436762
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673976
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol (CID 111436780) is 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol is Cc1csc(CNCC2(O)CCSCC2)n1.
What is the InChIKey of 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol?
The InChIKey is OAZCDHFJUDKRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9-7-16-10(13-9)6-12-8-11(14)2-4-15-5-3-11/h7,12,14H,2-6,8H2,1H3.
What are the key properties of 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol?
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol has a molecular weight of 258.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol is sourced from PubChem (CID 111436780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).