N-(3-phenylbutyl)-1,3-thiazol-2-amine

C13H16N2S — CID 62402809

IUPACN-(3-phenylbutyl)-1,3-thiazol-2-amine
SMILESCC(CCNc1nccs1)c1ccccc1
InChIInChI=1S/C13H16N2S/c1-11(12-5-3-2-4-6-12)7-8-14-13-15-9-10-16-13/h2-6,9-11H,7-8H2,1H3,(H,14,15)
InChIKeyVXZSMZUFXYDSRH-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.75
Rot. Bonds5

About N-(3-phenylbutyl)-1,3-thiazol-2-amine

N-(3-phenylbutyl)-1,3-thiazol-2-amine (PubChem CID 62402809) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-phenylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)-1,3-thiazol-2-amine
PubChem CID62402809
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(3-phenylbutyl)-1,3-thiazol-2-amine
SMILESCC(CCNc1nccs1)c1ccccc1
InChIInChI=1S/C13H16N2S/c1-11(12-5-3-2-4-6-12)7-8-14-13-15-9-10-16-13/h2-6,9-11H,7-8H2,1H3,(H,14,15)
InChIKeyVXZSMZUFXYDSRH-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 62402452
N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 43080477
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274259
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 106155364
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
6-methyl-N-(3-phenylbutyl)-1,3-benzothiazol-2-amine
CID 79126739
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-phenylbutyl)-1,3-thiazol-2-amine (CID 62402809) is N-(3-phenylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-phenylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-phenylbutyl)-1,3-thiazol-2-amine is CC(CCNc1nccs1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-1,3-thiazol-2-amine?
The InChIKey is VXZSMZUFXYDSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-11(12-5-3-2-4-6-12)7-8-14-13-15-9-10-16-13/h2-6,9-11H,7-8H2,1H3,(H,14,15).
What are the key properties of N-(3-phenylbutyl)-1,3-thiazol-2-amine?
N-(3-phenylbutyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62402809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).