(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine

C12H15ClN2OS — CID 139191962

IUPAC(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCO[C@H]1N=C(Nc2ccc(Cl)cc2)SC1(C)C
InChIInChI=1S/C12H15ClN2OS/c1-12(2)10(16-3)15-11(17-12)14-9-6-4-8(13)5-7-9/h4-7,10H,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyKHCVCRHAVBULLG-SNVBAGLBSA-N
MW270.79 g/mol
LogP3.61
Rot. Bonds2

About (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine

(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine (PubChem CID 139191962) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine
PubChem CID139191962
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine
SMILESCO[C@H]1N=C(Nc2ccc(Cl)cc2)SC1(C)C
InChIInChI=1S/C12H15ClN2OS/c1-12(2)10(16-3)15-11(17-12)14-9-6-4-8(13)5-7-9/h4-7,10H,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyKHCVCRHAVBULLG-SNVBAGLBSA-N
XLogP3.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The IUPAC name of (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine (CID 139191962) is (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine.
What is the SMILES notation for (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The canonical SMILES for (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine is CO[C@H]1N=C(Nc2ccc(Cl)cc2)SC1(C)C.
What is the InChIKey of (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine?
The InChIKey is KHCVCRHAVBULLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-12(2)10(16-3)15-11(17-12)14-9-6-4-8(13)5-7-9/h4-7,10H,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine?
(4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine has a molecular weight of 270.79 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-chlorophenyl)-4-methoxy-5,5-dimethyl-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 139191962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).