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

C9H16N2S2 — CID 43530665

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine
SMILESCCC(CCN)Sc1nc(C)cs1
InChIInChI=1S/C9H16N2S2/c1-3-8(4-5-10)13-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3
InChIKeyRBHOQMKRBRGMQS-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.67
Rot. Bonds5

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

3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine (PubChem CID 43530665) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine
PubChem CID43530665
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine
SMILESCCC(CCN)Sc1nc(C)cs1
InChIInChI=1S/C9H16N2S2/c1-3-8(4-5-10)13-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3
InChIKeyRBHOQMKRBRGMQS-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine (CID 43530665) is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine is CCC(CCN)Sc1nc(C)cs1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine?
The InChIKey is RBHOQMKRBRGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-8(4-5-10)13-9-11-7(2)6-12-9/h6,8H,3-5,10H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine?
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-1-amine is sourced from PubChem (CID 43530665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).