2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine

C8H14N2S2 — CID 43530666

IUPAC2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1csc(SCC(C)CN)n1
InChIInChI=1S/C8H14N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,3-4,9H2,1-2H3
InChIKeyDPOWTEMIGHIXCD-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine

2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 43530666) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID43530666
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Name2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCc1csc(SCC(C)CN)n1
InChIInChI=1S/C8H14N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,3-4,9H2,1-2H3
InChIKeyDPOWTEMIGHIXCD-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (CID 43530666) is 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is Cc1csc(SCC(C)CN)n1.
What is the InChIKey of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is DPOWTEMIGHIXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 202.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 43530666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).