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

C16H22N2S — CID 81173870

IUPACN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1sc(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H22N2S/c1-11(2)16-18-15(13-8-6-5-7-9-13)14(19-16)10-17-12(3)4/h5-9,11-12,17H,10H2,1-4H3
InChIKeyAYGBAKVBBDUWKZ-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.43
Rot. Bonds5

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

N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 81173870) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID81173870
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1sc(C(C)C)nc1-c1ccccc1
InChIInChI=1S/C16H22N2S/c1-11(2)16-18-15(13-8-6-5-7-9-13)14(19-16)10-17-12(3)4/h5-9,11-12,17H,10H2,1-4H3
InChIKeyAYGBAKVBBDUWKZ-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 90934410
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174281
N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81178307
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
5-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 141180852
3-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methylamino]-4-methylpentan-1-ol
CID 111469210
2-(2-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069331
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
2-(2-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069487
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 81173870) is N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1sc(C(C)C)nc1-c1ccccc1.
What is the InChIKey of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is AYGBAKVBBDUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)16-18-15(13-8-6-5-7-9-13)14(19-16)10-17-12(3)4/h5-9,11-12,17H,10H2,1-4H3.
What are the key properties of N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 81173870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).