4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine

C9H14N2S — CID 62956990

IUPAC4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H14N2S/c1-6(2)10-9-11-8(5-12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKQIUAMNAQJTEOW-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.84
Rot. Bonds3

About 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine

4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62956990) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62956990
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(C2CC2)cs1
InChIInChI=1S/C9H14N2S/c1-6(2)10-9-11-8(5-12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKQIUAMNAQJTEOW-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 62956990) is 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KQIUAMNAQJTEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(2)10-9-11-8(5-12-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62956990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).