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

C13H18N2S2 — CID 64539318

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nc(C)c(CNC(C)Cc2ccsc2)s1
InChIInChI=1S/C13H18N2S2/c1-9(6-12-4-5-16-8-12)14-7-13-10(2)15-11(3)17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyPGUZYNNYVGKINX-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.54
Rot. Bonds5

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 64539318) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID64539318
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1nc(C)c(CNC(C)Cc2ccsc2)s1
InChIInChI=1S/C13H18N2S2/c1-9(6-12-4-5-16-8-12)14-7-13-10(2)15-11(3)17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyPGUZYNNYVGKINX-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 96518518
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 115660798
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63455663
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 115726363
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 64539318) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine is Cc1nc(C)c(CNC(C)Cc2ccsc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is PGUZYNNYVGKINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-9(6-12-4-5-16-8-12)14-7-13-10(2)15-11(3)17-13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 266.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 64539318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).