4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine

C14H18N2S — CID 8878327

IUPAC4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NC(C)C)n2)cc1C
InChIInChI=1S/C14H18N2S/c1-9(2)15-14-16-13(8-17-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H,15,16)
InChIKeyKDFVYCABBCOEMX-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.25
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 8878327) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID8878327
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NC(C)C)n2)cc1C
InChIInChI=1S/C14H18N2S/c1-9(2)15-14-16-13(8-17-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H,15,16)
InChIKeyKDFVYCABBCOEMX-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119677142
1-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 63379443
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 8878327) is 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NC(C)C)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is KDFVYCABBCOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9(2)15-14-16-13(8-17-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H,15,16).
What are the key properties of 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).