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

C13H15ClN2S — CID 62065554

IUPAC5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2S/c1-8(2)12-11(17-13(15)16-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyMJPQYCBSAPBFDP-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.09
Rot. Bonds3

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

5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62065554) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62065554
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2S/c1-8(2)12-11(17-13(15)16-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyMJPQYCBSAPBFDP-UHFFFAOYSA-N
XLogP4.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 62065554) is 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is MJPQYCBSAPBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8(2)12-11(17-13(15)16-12)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).