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

C13H17ClN2OS — CID 114211113

IUPACN-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2cc(C)ccc2Cl)=N1
InChIInChI=1S/C13H17ClN2OS/c1-9-3-4-11(14)12(7-9)16-13-15-10(8-18-13)5-6-17-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyVHXLQMKUHLLDDY-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.57
Rot. Bonds4

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

N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114211113) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114211113
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCC1CSC(Nc2cc(C)ccc2Cl)=N1
InChIInChI=1S/C13H17ClN2OS/c1-9-3-4-11(14)12(7-9)16-13-15-10(8-18-13)5-6-17-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyVHXLQMKUHLLDDY-UHFFFAOYSA-N
XLogP3.57
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114211113) is N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is COCCC1CSC(Nc2cc(C)ccc2Cl)=N1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VHXLQMKUHLLDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-9-3-4-11(14)12(7-9)16-13-15-10(8-18-13)5-6-17-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4-(2-methoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114211113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).