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

C12H16N2S2 — CID 43432807

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1nc(CNC(C)Cc2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-9(6-12-4-3-5-15-12)13-7-11-8-16-10(2)14-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyLSLHFJCZQQFXFU-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.23
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432807) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432807
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1nc(CNC(C)Cc2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-9(6-12-4-3-5-15-12)13-7-11-8-16-10(2)14-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyLSLHFJCZQQFXFU-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 82893826
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 64800130
4-ethylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 115660477
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
(1R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 28781245
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 50979337
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
(2S)-4-methyl-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 95123080

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432807) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine is Cc1nc(CNC(C)Cc2cccs2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is LSLHFJCZQQFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(6-12-4-3-5-15-12)13-7-11-8-16-10(2)14-11/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).