N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine

C16H22N2S — CID 63470536

IUPACN-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccccc2)c(C(C)C)s1
InChIInChI=1S/C16H22N2S/c1-11(2)10-17-16-18-14(15(19-16)12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyFAWAGJNCUKVVMW-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.00
Rot. Bonds5

About N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine

N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 63470536) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID63470536
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CNc1nc(-c2ccccc2)c(C(C)C)s1
InChIInChI=1S/C16H22N2S/c1-11(2)10-17-16-18-14(15(19-16)12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18)
InChIKeyFAWAGJNCUKVVMW-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine (CID 63470536) is N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)CNc1nc(-c2ccccc2)c(C(C)C)s1.
What is the InChIKey of N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FAWAGJNCUKVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)10-17-16-18-14(15(19-16)12(3)4)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine?
N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-phenyl-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 63470536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).