4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol

C11H18N2OS2 — CID 115654346

IUPAC4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
SMILESCc1ncsc1CNCC1(O)CCSCC1
InChIInChI=1S/C11H18N2OS2/c1-9-10(16-8-13-9)6-12-7-11(14)2-4-15-5-3-11/h8,12,14H,2-7H2,1H3
InChIKeyLSFWRIZDKSRJPR-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.80
Rot. Bonds4

About 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol

4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol (PubChem CID 115654346) has the molecular formula C11H18N2OS2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
PubChem CID115654346
Molecular FormulaC11H18N2OS2
Molecular Weight258.41 g/mol
Exact Mass258.09
IUPAC Name4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
SMILESCc1ncsc1CNCC1(O)CCSCC1
InChIInChI=1S/C11H18N2OS2/c1-9-10(16-8-13-9)6-12-7-11(14)2-4-15-5-3-11/h8,12,14H,2-7H2,1H3
InChIKeyLSFWRIZDKSRJPR-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

3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
CID 115641770
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 107267251
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 82767770
N-[(3-methylpyrrolidin-3-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63283666
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
4-[[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 111436793
3-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]oxolan-3-ol
CID 106100749

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol (CID 115654346) is 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol is Cc1ncsc1CNCC1(O)CCSCC1.
What is the InChIKey of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol?
The InChIKey is LSFWRIZDKSRJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS2/c1-9-10(16-8-13-9)6-12-7-11(14)2-4-15-5-3-11/h8,12,14H,2-7H2,1H3.
What are the key properties of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol?
4-[[(4-methyl-1,3-thiazol-5-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-5-yl)methylamino]methyl]thian-4-ol is sourced from PubChem (CID 115654346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).