N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

C12H10Cl2N2S — CID 27439618

IUPACN-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NC3CC3)n2)cc1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-4-1-7(5-10(9)14)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16)
InChIKeyKBADHVVHSNNVID-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.69
Rot. Bonds3

About N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 27439618) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
PubChem CID27439618
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC NameN-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NC3CC3)n2)cc1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-4-1-7(5-10(9)14)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16)
InChIKeyKBADHVVHSNNVID-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine (CID 27439618) is N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NC3CC3)n2)cc1Cl.
What is the InChIKey of N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is KBADHVVHSNNVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c13-9-4-1-7(5-10(9)14)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16).
What are the key properties of N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine?
N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 285.20 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 27439618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).