N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

C15H20N2S — CID 81012409

IUPACN,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCNCCC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-12(8-9-16-2)10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyRKMJTJJHULSTOF-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.60
Rot. Bonds6

About N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 81012409) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID81012409
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCNCCC(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H20N2S/c1-12(8-9-16-2)10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyRKMJTJJHULSTOF-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012215
3-methyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-1-amine
CID 81018569
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
5-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105164412
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 81012409) is N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CNCCC(C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is RKMJTJJHULSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(8-9-16-2)10-15-17-14(11-18-15)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 81012409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).