1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide

C11H11N3OS — CID 80598023

IUPAC1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C11H11N3OS/c12-6-11(4-5-11)9(15)14-10-13-7-2-1-3-8(7)16-10/h1-5H2,(H,13,14,15)
InChIKeyHEKFBIQTCCGIPW-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.87
Rot. Bonds2

About 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide

1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 80598023) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID80598023
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2nc3c(s2)CCC3)CC1
InChIInChI=1S/C11H11N3OS/c12-6-11(4-5-11)9(15)14-10-13-7-2-1-3-8(7)16-10/h1-5H2,(H,13,14,15)
InChIKeyHEKFBIQTCCGIPW-UHFFFAOYSA-N
XLogP1.87
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)oxolane-3-carboxamide
CID 64893407
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)formamide
CID 64991335
(2R,5S)-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945089
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxane-4-carboxamide
CID 115439503
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
2-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 114996558

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide (CID 80598023) is 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2nc3c(s2)CCC3)CC1.
What is the InChIKey of 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is HEKFBIQTCCGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-6-11(4-5-11)9(15)14-10-13-7-2-1-3-8(7)16-10/h1-5H2,(H,13,14,15).
What are the key properties of 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide?
1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).