N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C12H15ClN2S — CID 620033

IUPACN-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(C1=NCC(C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2S/c1-3-15(12-14-8-9(2)16-12)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyMPVMURIBSWEDIC-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.66
Rot. Bonds2

About N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 620033) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID620033
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC NameN-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(C1=NCC(C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2S/c1-3-15(12-14-8-9(2)16-12)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyMPVMURIBSWEDIC-UHFFFAOYSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2378238
N-(3-Chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383599
N-(2-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431151
N-(4-chlorophenyl)-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)acetamide
CID 1431156
N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2729997
1-(4-Chloro-phenyl)-2-ethyl-isothiourea; hydrochloride
CID 8775318
Mls003115267
CID 317099
N-(3-Chloro-4-fluorophenyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 389115
methyl 4-(3-chlorophenyl)-N-cyanotetrahydro-1(2H)-pyrazinecarbimidothioate
CID 1482467
N-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 4846651
ethyl N'-(4-chlorophenyl)carbamimidothioate;hydrochloride
CID 45260398
propan-2-yl N-(4-chlorophenyl)-N'-ethylcarbamimidothioate
CID 44574696

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 620033) is N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCN(C1=NCC(C)S1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MPVMURIBSWEDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-3-15(12-14-8-9(2)16-12)11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.79 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 620033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).