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

C14H22N6OS — CID 3062335

IUPACN-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C14H22N6OS/c15-12(16)19-13-18-10-6-7-20(8-11(10)22-13)14(21)17-9-4-2-1-3-5-9/h9H,1-8H2,(H,17,21)(H4,15,16,18,19)
InChIKeyQCXNBYRUMAYSHF-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.45
Rot. Bonds2

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

N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 3062335) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID3062335
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC NameN-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C14H22N6OS/c15-12(16)19-13-18-10-6-7-20(8-11(10)22-13)14(21)17-9-4-2-1-3-5-9/h9H,1-8H2,(H,17,21)(H4,15,16,18,19)
InChIKeyQCXNBYRUMAYSHF-UHFFFAOYSA-N
XLogP1.45
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.45
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-cyclohexyl-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-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 3062335) is N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is NC(N)=Nc1nc2c(s1)CN(C(=O)NC1CCCCC1)CC2.
What is the InChIKey of N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is QCXNBYRUMAYSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS/c15-12(16)19-13-18-10-6-7-20(8-11(10)22-13)14(21)17-9-4-2-1-3-5-9/h9H,1-8H2,(H,17,21)(H4,15,16,18,19).
What are the key properties of N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 322.44 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3062335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).