N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine

C13H13ClN2S — CID 78910604

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(C(Nc2nccs2)C2CC2)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12(9-1-2-9)16-13-15-7-8-17-13/h3-9,12H,1-2H2,(H,15,16)
InChIKeyMQUVUZOKPOYESL-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine (PubChem CID 78910604) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine
PubChem CID78910604
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(C(Nc2nccs2)C2CC2)cc1
InChIInChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12(9-1-2-9)16-13-15-7-8-17-13/h3-9,12H,1-2H2,(H,15,16)
InChIKeyMQUVUZOKPOYESL-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine (CID 78910604) is N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine is Clc1ccc(C(Nc2nccs2)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine?
The InChIKey is MQUVUZOKPOYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-11-5-3-10(4-6-11)12(9-1-2-9)16-13-15-7-8-17-13/h3-9,12H,1-2H2,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine has a molecular weight of 264.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78910604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).