N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H17ClN2S — CID 113492361

IUPACN-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C13H17ClN2S/c1-9(2)12-8-16-13(17-12)15-7-10-5-3-4-6-11(10)14/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyNLLHBCKWEMUQRL-UHFFFAOYSA-N
MW268.81 g/mol
LogP3.56
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492361) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492361
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C13H17ClN2S/c1-9(2)12-8-16-13(17-12)15-7-10-5-3-4-6-11(10)14/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyNLLHBCKWEMUQRL-UHFFFAOYSA-N
XLogP3.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492338
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967585
N'-ethyl-N-(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)-N'-propylethane-1,2-diamine
CID 114134847
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891807
2-[(2-chlorophenyl)methylamino]-5-propan-2-yl-1,3-thiazol-4-ol
CID 91245583
N-(4-bromo-3-fluorophenyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492490
2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929106
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114538093
4-N-benzyl-6-N-[(2-chlorophenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872608
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 113492361) is N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CN=C(NCc2ccccc2Cl)S1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NLLHBCKWEMUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-9(2)12-8-16-13(17-12)15-7-10-5-3-4-6-11(10)14/h3-6,9,12H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).