3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile

C12H12N4S2 — CID 103378439

IUPAC3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C12H12N4S2/c13-5-9-11(14)16-18-12(9)15-6-8-4-7-2-1-3-10(7)17-8/h4,15H,1-3,6H2,(H2,14,16)
InChIKeyBZQNEEOSFBSHSK-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.76
Rot. Bonds3

About 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile

3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 103378439) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID103378439
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCc1cc2c(s1)CCC2
InChIInChI=1S/C12H12N4S2/c13-5-9-11(14)16-18-12(9)15-6-8-4-7-2-1-3-10(7)17-8/h4,15H,1-3,6H2,(H2,14,16)
InChIKeyBZQNEEOSFBSHSK-UHFFFAOYSA-N
XLogP2.76
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile with MolForge

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Related Compounds

5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359401
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116795652
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzonitrile
CID 61206641
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-2-nitrobenzonitrile
CID 104717738
3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
CID 103384602
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
CID 106194051
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194064
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-nitroaniline
CID 61209142
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
6-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194029

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile (CID 103378439) is 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCc1cc2c(s1)CCC2.
What is the InChIKey of 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is BZQNEEOSFBSHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c13-5-9-11(14)16-18-12(9)15-6-8-4-7-2-1-3-10(7)17-8/h4,15H,1-3,6H2,(H2,14,16).
What are the key properties of 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 276.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103378439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).