N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide

C17H18N4O3S2 — CID 97074044

IUPACN-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)cs2)cs1
InChIInChI=1S/C17H18N4O3S2/c1-9-19-12(8-25-9)13-5-10(7-26-13)14(22)18-6-11-3-2-4-17(11)15(23)20-16(24)21-17/h5,7-8,11H,2-4,6H2,1H3,(H,18,22)(H2,20,21,23,24)/t11-,17+/m1/s1
InChIKeyGOYPNSKEQAJMRP-DIFFPNOSSA-N
MW390.49 g/mol
LogP2.29
Rot. Bonds4

About N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide

N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide (PubChem CID 97074044) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide
PubChem CID97074044
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)cs2)cs1
InChIInChI=1S/C17H18N4O3S2/c1-9-19-12(8-25-9)13-5-10(7-26-13)14(22)18-6-11-3-2-4-17(11)15(23)20-16(24)21-17/h5,7-8,11H,2-4,6H2,1H3,(H,18,22)(H2,20,21,23,24)/t11-,17+/m1/s1
InChIKeyGOYPNSKEQAJMRP-DIFFPNOSSA-N
XLogP2.29
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide (CID 97074044) is N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide is Cc1nc(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)cs2)cs1.
What is the InChIKey of N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide?
The InChIKey is GOYPNSKEQAJMRP-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-9-19-12(8-25-9)13-5-10(7-26-13)14(22)18-6-11-3-2-4-17(11)15(23)20-16(24)21-17/h5,7-8,11H,2-4,6H2,1H3,(H,18,22)(H2,20,21,23,24)/t11-,17+/m1/s1.
What are the key properties of N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide?
N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 97074044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).