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

C16H22N2S — CID 63399403

IUPAC4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCc1ccccc1Cc1sc(N)nc1C(C)C
InChIInChI=1S/C16H22N2S/c1-4-7-12-8-5-6-9-13(12)10-14-15(11(2)3)18-16(17)19-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,17,18)
InChIKeyCEDDREBCTSHLCO-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.39
Rot. Bonds5

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

4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 63399403) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID63399403
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCc1ccccc1Cc1sc(N)nc1C(C)C
InChIInChI=1S/C16H22N2S/c1-4-7-12-8-5-6-9-13(12)10-14-15(11(2)3)18-16(17)19-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,17,18)
InChIKeyCEDDREBCTSHLCO-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine (CID 63399403) is 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine is CCCc1ccccc1Cc1sc(N)nc1C(C)C.
What is the InChIKey of 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CEDDREBCTSHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-7-12-8-5-6-9-13(12)10-14-15(11(2)3)18-16(17)19-14/h5-6,8-9,11H,4,7,10H2,1-3H3,(H2,17,18).
What are the key properties of 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine?
4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63399403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).