N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C13H15ClN2S — CID 4834621

IUPACN-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-3-9(2)15-13-16-12(8-17-13)10-4-6-11(14)7-5-10/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyVVUCXSBESVXTCV-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.67
Rot. Bonds4

About N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine

N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 4834621) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID4834621
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H15ClN2S/c1-3-9(2)15-13-16-12(8-17-13)10-4-6-11(14)7-5-10/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyVVUCXSBESVXTCV-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 4834621) is N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine is CCC(C)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is VVUCXSBESVXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-9(2)15-13-16-12(8-17-13)10-4-6-11(14)7-5-10/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4834621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).