N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine

C19H21N7S — CID 90288215

IUPACN-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(=C(/C)N)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C19H21N7S/c1-11(21)14(9-20)13-8-16-15(22-10-13)6-7-17(23-16)24-19-26-25-18(27-19)12-4-2-3-5-12/h6-10,12,20H,2-5,21H2,1H3,(H,23,24,26)/b14-11+,20-9+
InChIKeyYWYLHJONECSNCL-UQXWRELISA-N
MW379.49 g/mol
LogP4.22
Rot. Bonds5

About N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine

N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine (PubChem CID 90288215) has the molecular formula C19H21N7S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
PubChem CID90288215
Molecular FormulaC19H21N7S
Molecular Weight379.49 g/mol
Exact Mass379.16
IUPAC NameN-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(=C(/C)N)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C19H21N7S/c1-11(21)14(9-20)13-8-16-15(22-10-13)6-7-17(23-16)24-19-26-25-18(27-19)12-4-2-3-5-12/h6-10,12,20H,2-5,21H2,1H3,(H,23,24,26)/b14-11+,20-9+
InChIKeyYWYLHJONECSNCL-UQXWRELISA-N
XLogP4.22
TPSA113.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine (CID 90288215) is N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine is [H]/N=C/C(=C(/C)N)c1cnc2ccc(Nc3nnc(C4CCCC4)s3)nc2c1.
What is the InChIKey of N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YWYLHJONECSNCL-UQXWRELISA-N. The full InChI is InChI=1S/C19H21N7S/c1-11(21)14(9-20)13-8-16-15(22-10-13)6-7-17(23-16)24-19-26-25-18(27-19)12-4-2-3-5-12/h6-10,12,20H,2-5,21H2,1H3,(H,23,24,26)/b14-11+,20-9+.
What are the key properties of N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine?
N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine has a molecular weight of 379.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).