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

C15H20N2S — CID 103729859

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
SMILESCc1cnc(CNC(C)CCc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)16-11-15-17-10-13(2)18-15/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyWSUAUINVOWPCCZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.56
Rot. Bonds6

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 103729859) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
PubChem CID103729859
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
SMILESCc1cnc(CNC(C)CCc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)16-11-15-17-10-13(2)18-15/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyWSUAUINVOWPCCZ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
CID 115724465
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-2-ylethanamine
CID 103729858
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103700595
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine (CID 103729859) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine is Cc1cnc(CNC(C)CCc2ccccc2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is WSUAUINVOWPCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(8-9-14-6-4-3-5-7-14)16-11-15-17-10-13(2)18-15/h3-7,10,12,16H,8-9,11H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 103729859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).