3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide

C12H17N3O2S — CID 119772305

IUPAC3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nc3c(s2)COCC3)C1
InChIInChI=1S/C12H17N3O2S/c13-8-2-1-7(5-8)11(16)15-12-14-9-3-4-17-6-10(9)18-12/h7-8H,1-6,13H2,(H,14,15,16)
InChIKeyRSZIHMCXKJUHOU-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.28
Rot. Bonds2

About 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide

3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 119772305) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID119772305
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nc3c(s2)COCC3)C1
InChIInChI=1S/C12H17N3O2S/c13-8-2-1-7(5-8)11(16)15-12-14-9-3-4-17-6-10(9)18-12/h7-8H,1-6,13H2,(H,14,15,16)
InChIKeyRSZIHMCXKJUHOU-UHFFFAOYSA-N
XLogP1.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide
CID 119743805
cis-(1S,2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 95996942
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 90543695
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
CID 90543549
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 119317036
(2R)-2-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 119317046
(1R,5S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 154846520
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119317027
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide;hydrochloride
CID 119317032
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolane-3-carboxamide
CID 56675559
4-(6-amino-2-chloropurin-9-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclohexane-1-carboxamide
CID 134214708

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide (CID 119772305) is 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2nc3c(s2)COCC3)C1.
What is the InChIKey of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is RSZIHMCXKJUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-8-2-1-7(5-8)11(16)15-12-14-9-3-4-17-6-10(9)18-12/h7-8H,1-6,13H2,(H,14,15,16).
What are the key properties of 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide?
3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119772305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).