2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine

C14H15N3S2 — CID 63231055

IUPAC2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
SMILESCC(Cc1ccsc1)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H15N3S2/c1-9(6-10-4-5-18-8-10)16-14-17-12-3-2-11(15)7-13(12)19-14/h2-5,7-9H,6,15H2,1H3,(H,16,17)
InChIKeyKOFORSMFSSSAOY-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.98
Rot. Bonds4

About 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine

2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine (PubChem CID 63231055) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
PubChem CID63231055
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
SMILESCC(Cc1ccsc1)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H15N3S2/c1-9(6-10-4-5-18-8-10)16-14-17-12-3-2-11(15)7-13(12)19-14/h2-5,7-9H,6,15H2,1H3,(H,16,17)
InChIKeyKOFORSMFSSSAOY-UHFFFAOYSA-N
XLogP3.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79527738
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 63545519
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)amino]-4-methylpentanoate
CID 63231298
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156
N-(6-amino-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 16781152
2-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)-1H-imidazole-4,5-diamine
CID 82239190
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
CID 80800246
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxypropanamide
CID 43164972
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106387621
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine (CID 63231055) is 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine is CC(Cc1ccsc1)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The InChIKey is KOFORSMFSSSAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-9(6-10-4-5-18-8-10)16-14-17-12-3-2-11(15)7-13(12)19-14/h2-5,7-9H,6,15H2,1H3,(H,16,17).
What are the key properties of 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).