N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine

C12H15ClN2S — CID 935473

IUPACN-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C12H15ClN2S/c1-12(2)8-15-11(16-12)14-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyKVHCSYLFCIVZLQ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.31
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine (PubChem CID 935473) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine
PubChem CID935473
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCC1(C)CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C12H15ClN2S/c1-12(2)8-15-11(16-12)14-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H,14,15)
InChIKeyKVHCSYLFCIVZLQ-UHFFFAOYSA-N
XLogP3.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
N-(2-chlorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2996926
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337
Guanidine, 2-(o-chlorobenzyl)-1-methyl-
CID 19797
Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-
CID 1214898
2-Thiazoline, 2-((o-chlorobenzyl)amino)-
CID 3055295
2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 2806596
N-benzyl-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997253
propyl N'-[(4-chlorophenyl)methyl]-N-cyclohexylcarbamimidothioate
CID 10743562
N-((2-Chlorophenyl)methyl)-N',N''-dimethylguanidine
CID 6313
methyl N-benzyl-N'-methylcarbamimidothioate
CID 44390464

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine (CID 935473) is N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine is CC1(C)CN=C(NCc2ccccc2Cl)S1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The InChIKey is KVHCSYLFCIVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-12(2)8-15-11(16-12)14-7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine has a molecular weight of 254.79 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5,5-dimethyl-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 935473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).