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

C12H20N2OS2 — CID 111436720

IUPAC4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
SMILESCCc1nc(CNCC2(O)CCSCC2)cs1
InChIInChI=1S/C12H20N2OS2/c1-2-11-14-10(8-17-11)7-13-9-12(15)3-5-16-6-4-12/h8,13,15H,2-7,9H2,1H3
InChIKeyBLMJVASEWDQJDF-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.05
Rot. Bonds5

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

4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol (PubChem CID 111436720) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
PubChem CID111436720
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
SMILESCCc1nc(CNCC2(O)CCSCC2)cs1
InChIInChI=1S/C12H20N2OS2/c1-2-11-14-10(8-17-11)7-13-9-12(15)3-5-16-6-4-12/h8,13,15H,2-7,9H2,1H3
InChIKeyBLMJVASEWDQJDF-UHFFFAOYSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
2-[1-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750165
4-[[(2-phenyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436762
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
CID 115641770
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol (CID 111436720) is 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol is CCc1nc(CNCC2(O)CCSCC2)cs1.
What is the InChIKey of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol?
The InChIKey is BLMJVASEWDQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-2-11-14-10(8-17-11)7-13-9-12(15)3-5-16-6-4-12/h8,13,15H,2-7,9H2,1H3.
What are the key properties of 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol?
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol has a molecular weight of 272.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol is sourced from PubChem (CID 111436720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).