N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C13H20N6OS — CID 3088603

IUPACN-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C13H20N6OS/c14-11(15)18-12-17-9-5-6-19(7-10(9)21-12)13(20)16-8-3-1-2-4-8/h8H,1-7H2,(H,16,20)(H4,14,15,17,18)
InChIKeyRNHOTVRMOXKBBZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.06
Rot. Bonds2

About N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 3088603) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID3088603
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC NameN-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCC1)CC2
InChIInChI=1S/C13H20N6OS/c14-11(15)18-12-17-9-5-6-19(7-10(9)21-12)13(20)16-8-3-1-2-4-8/h8H,1-7H2,(H,16,20)(H4,14,15,17,18)
InChIKeyRNHOTVRMOXKBBZ-UHFFFAOYSA-N
XLogP1.06
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 3088603) is N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is NC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCC1)CC2.
What is the InChIKey of N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is RNHOTVRMOXKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c14-11(15)18-12-17-9-5-6-19(7-10(9)21-12)13(20)16-8-3-1-2-4-8/h8H,1-7H2,(H,16,20)(H4,14,15,17,18).
What are the key properties of N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3088603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).