N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine

C13H16N2S — CID 21355599

IUPACN-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H16N2S/c1-10(2)12-9-16-13(15-12)14-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyRMABDGBSMXOKFX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.88
Rot. Bonds4

About N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine

N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 21355599) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID21355599
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(NCc2ccccc2)n1
InChIInChI=1S/C13H16N2S/c1-10(2)12-9-16-13(15-12)14-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyRMABDGBSMXOKFX-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
4-propan-2-yl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 130159162
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110446173
N-methyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 61332526
[2-(benzylamino)-1,3-thiazol-4-yl] propanoate
CID 174422518
2-(2-methylsulfonylphenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 110439791

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine (CID 21355599) is N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1csc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is RMABDGBSMXOKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(2)12-9-16-13(15-12)14-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine?
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 21355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).