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

C10H16N6OS — CID 3062336

IUPAC2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H16N6OS/c1-2-13-10(17)16-4-3-6-7(5-16)18-9(14-6)15-8(11)12/h2-5H2,1H3,(H,13,17)(H4,11,12,14,15)
InChIKeyZZTCMGZOZSJPOV-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.14
Rot. Bonds2

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

2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 3062336) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID3062336
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCCNC(=O)N1CCc2nc(N=C(N)N)sc2C1
InChIInChI=1S/C10H16N6OS/c1-2-13-10(17)16-4-3-6-7(5-16)18-9(14-6)15-8(11)12/h2-5H2,1H3,(H,13,17)(H4,11,12,14,15)
InChIKeyZZTCMGZOZSJPOV-UHFFFAOYSA-N
XLogP0.14
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.14
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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Related Compounds

2-(diaminomethylideneamino)-N-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbothioamide
CID 10086064
2-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)guanidine
CID 10082387
N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 91020479
N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530630
2-tert-butyl-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 135213413
ethyl N-[5-[(3,4-dimethoxyphenyl)methylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528161
ethyl N-[5-[(4-methylphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528142
2-(propan-2-ylcarbamoylamino)-N-prop-2-enyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530154
N-ethyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxamide
CID 68701356
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 62793779

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 3062336) is 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CCNC(=O)N1CCc2nc(N=C(N)N)sc2C1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is ZZTCMGZOZSJPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-2-13-10(17)16-4-3-6-7(5-16)18-9(14-6)15-8(11)12/h2-5H2,1H3,(H,13,17)(H4,11,12,14,15).
What are the key properties of 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 268.35 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 3062336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).