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

C8H14N2OS2 — CID 64897892

IUPAC3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1csc(SC(CO)C(C)N)n1
InChIInChI=1S/C8H14N2OS2/c1-5-4-12-8(10-5)13-7(3-11)6(2)9/h4,6-7,11H,3,9H2,1-2H3
InChIKeyMYPCHXXVCRYSSD-UHFFFAOYSA-N
MW218.35 g/mol
LogP1.25
Rot. Bonds4

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

3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 64897892) has the molecular formula C8H14N2OS2 and a molecular weight of 218.35 g/mol. Its IUPAC name is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID64897892
Molecular FormulaC8H14N2OS2
Molecular Weight218.35 g/mol
Exact Mass218.05
IUPAC Name3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
SMILESCc1csc(SC(CO)C(C)N)n1
InChIInChI=1S/C8H14N2OS2/c1-5-4-12-8(10-5)13-7(3-11)6(2)9/h4,6-7,11H,3,9H2,1-2H3
InChIKeyMYPCHXXVCRYSSD-UHFFFAOYSA-N
XLogP1.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 115742698
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514
1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
CID 55018625
4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 127002555
2-amino-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 63035563
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47155489
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol (CID 64897892) is 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is Cc1csc(SC(CO)C(C)N)n1.
What is the InChIKey of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is MYPCHXXVCRYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS2/c1-5-4-12-8(10-5)13-7(3-11)6(2)9/h4,6-7,11H,3,9H2,1-2H3.
What are the key properties of 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol?
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 218.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 64897892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).