(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine

C7H12N2S2 — CID 82404854

IUPAC(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCSCC[C@H](N)c1ccsn1
InChIInChI=1S/C7H12N2S2/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3/t6-/m0/s1
InChIKeyKVXBUONDWMSIJX-LURJTMIESA-N
MW188.32 g/mol
LogP1.90
Rot. Bonds4

About (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine

(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine (PubChem CID 82404854) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine
PubChem CID82404854
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine
SMILESCSCC[C@H](N)c1ccsn1
InChIInChI=1S/C7H12N2S2/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3/t6-/m0/s1
InChIKeyKVXBUONDWMSIJX-LURJTMIESA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The IUPAC name of (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine (CID 82404854) is (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine is CSCC[C@H](N)c1ccsn1.
What is the InChIKey of (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine?
The InChIKey is KVXBUONDWMSIJX-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2S2/c1-10-4-2-6(8)7-3-5-11-9-7/h3,5-6H,2,4,8H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine?
(1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine has a molecular weight of 188.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methylsulfanyl-1-(1,2-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 82404854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).