4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine

C9H13ClN2S — CID 83151831

IUPAC4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC1CC1)Nc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2S/c1-6(4-7-2-3-7)11-9-12-8(10)5-13-9/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyOSYYXZAVDIXPSW-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.40
Rot. Bonds4

About 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine

4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 83151831) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID83151831
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC1CC1)Nc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2S/c1-6(4-7-2-3-7)11-9-12-8(10)5-13-9/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyOSYYXZAVDIXPSW-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine (CID 83151831) is 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine is CC(CC1CC1)Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is OSYYXZAVDIXPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-6(4-7-2-3-7)11-9-12-8(10)5-13-9/h5-7H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine?
4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 216.74 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).