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

C14H20N2S2 — CID 75427876

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1csc(CCCNC(C)Cc2ccsc2)n1
InChIInChI=1S/C14H20N2S2/c1-11(8-13-5-7-17-10-13)15-6-3-4-14-16-12(2)9-18-14/h5,7,9-11,15H,3-4,6,8H2,1-2H3
InChIKeyAASCVQQCAHGBDM-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.67
Rot. Bonds7

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

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 75427876) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID75427876
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1csc(CCCNC(C)Cc2ccsc2)n1
InChIInChI=1S/C14H20N2S2/c1-11(8-13-5-7-17-10-13)15-6-3-4-14-16-12(2)9-18-14/h5,7,9-11,15H,3-4,6,8H2,1-2H3
InChIKeyAASCVQQCAHGBDM-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 84589401
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
4-(3-methylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 63238721

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine (CID 75427876) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine is Cc1csc(CCCNC(C)Cc2ccsc2)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is AASCVQQCAHGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-11(8-13-5-7-17-10-13)15-6-3-4-14-16-12(2)9-18-14/h5,7,9-11,15H,3-4,6,8H2,1-2H3.
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 75427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).