1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C10H16N2S — CID 64918858

IUPAC1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)C1CC1
InChIInChI=1S/C10H16N2S/c1-2-10(8-3-4-8)11-5-9-6-13-7-12-9/h6-8,10-11H,2-5H2,1H3
InChIKeyGBISPWQSYAXGRX-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.42
Rot. Bonds5

About 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 64918858) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID64918858
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cscn1)C1CC1
InChIInChI=1S/C10H16N2S/c1-2-10(8-3-4-8)11-5-9-6-13-7-12-9/h6-8,10-11H,2-5H2,1H3
InChIKeyGBISPWQSYAXGRX-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 64918858) is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is CCC(NCc1cscn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is GBISPWQSYAXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-10(8-3-4-8)11-5-9-6-13-7-12-9/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 64918858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).