5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C14H19N3OS2 — CID 103359401

IUPAC5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C14H19N3OS2/c1-8(2)18-12-13(15)17-20-14(12)16-7-10-6-9-4-3-5-11(9)19-10/h6,8,16H,3-5,7H2,1-2H3,(H2,15,17)
InChIKeyBQDWJNYRYGEUNW-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.67
Rot. Bonds5

About 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103359401) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103359401
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C14H19N3OS2/c1-8(2)18-12-13(15)17-20-14(12)16-7-10-6-9-4-3-5-11(9)19-10/h6,8,16H,3-5,7H2,1-2H3,(H2,15,17)
InChIKeyBQDWJNYRYGEUNW-UHFFFAOYSA-N
XLogP3.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 103378439
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methoxybutan-2-amine
CID 115717106
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116795652
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
CID 83675076
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957

Frequently Asked Questions

What is the IUPAC name of 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103359401) is 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCc1cc2c(s1)CCC2.
What is the InChIKey of 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is BQDWJNYRYGEUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-8(2)18-12-13(15)17-20-14(12)16-7-10-6-9-4-3-5-11(9)19-10/h6,8,16H,3-5,7H2,1-2H3,(H2,15,17).
What are the key properties of 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 309.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).