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

C11H16N6OS — CID 3062333

IUPACN-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CC1)CC2
InChIInChI=1S/C11H16N6OS/c12-9(13)16-10-15-7-3-4-17(5-8(7)19-10)11(18)14-6-1-2-6/h6H,1-5H2,(H,14,18)(H4,12,13,15,16)
InChIKeyIDLFGBDIKSBCRO-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.28
Rot. Bonds2

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

N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 3062333) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID3062333
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESNC(N)=Nc1nc2c(s1)CN(C(=O)NC1CC1)CC2
InChIInChI=1S/C11H16N6OS/c12-9(13)16-10-15-7-3-4-17(5-8(7)19-10)11(18)14-6-1-2-6/h6H,1-5H2,(H,14,18)(H4,12,13,15,16)
InChIKeyIDLFGBDIKSBCRO-UHFFFAOYSA-N
XLogP0.28
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.28
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 3062333) is N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is NC(N)=Nc1nc2c(s1)CN(C(=O)NC1CC1)CC2.
What is the InChIKey of N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is IDLFGBDIKSBCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c12-9(13)16-10-15-7-3-4-17(5-8(7)19-10)11(18)14-6-1-2-6/h6H,1-5H2,(H,14,18)(H4,12,13,15,16).
What are the key properties of N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 280.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3062333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).