N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H17ClN2S — CID 113492385

IUPACN-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCC(C(C)C)S2)c(Cl)c1
InChIInChI=1S/C13H17ClN2S/c1-8(2)12-7-15-13(17-12)16-11-5-4-9(3)6-10(11)14/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeyXXXPSSHEBPCVQX-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.19
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492385) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492385
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(NC2=NCC(C(C)C)S2)c(Cl)c1
InChIInChI=1S/C13H17ClN2S/c1-8(2)12-7-15-13(17-12)16-11-5-4-9(3)6-10(11)14/h4-6,8,12H,7H2,1-3H3,(H,15,16)
InChIKeyXXXPSSHEBPCVQX-UHFFFAOYSA-N
XLogP4.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 113492385) is N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(NC2=NCC(C(C)C)S2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XXXPSSHEBPCVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-8(2)12-7-15-13(17-12)16-11-5-4-9(3)6-10(11)14/h4-6,8,12H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).