N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide

C12H16N4OS — CID 173496285

IUPACN-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C(N)=Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N4OS/c1-16(10(17)7-5-6-7)11(13)15-12-14-8-3-2-4-9(8)18-12/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyPCIHSTLXNFXAQH-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.45
Rot. Bonds2

About N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide

N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide (PubChem CID 173496285) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide
PubChem CID173496285
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C(N)=Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H16N4OS/c1-16(10(17)7-5-6-7)11(13)15-12-14-8-3-2-4-9(8)18-12/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyPCIHSTLXNFXAQH-UHFFFAOYSA-N
XLogP1.45
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide (CID 173496285) is N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)C(N)=Nc1nc2c(s1)CCC2.
What is the InChIKey of N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide?
The InChIKey is PCIHSTLXNFXAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16(10(17)7-5-6-7)11(13)15-12-14-8-3-2-4-9(8)18-12/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide?
N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamimidoyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 173496285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).