(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

C12H16N4O2S2 — CID 717043

IUPAC(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC[C@@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O
InChIInChI=1S/C12H16N4O2S2/c1-12(2)16(6-17)8(5-19-12)9(18)13-11-15-14-10(20-11)7-3-4-7/h6-8H,3-5H2,1-2H3,(H,13,15,18)/t8-/m0/s1
InChIKeyCVDTVJWFIGSGOC-QMMMGPOBSA-N
MW312.42 g/mol
LogP1.66
Rot. Bonds4

About (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 717043) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID717043
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)SC[C@@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O
InChIInChI=1S/C12H16N4O2S2/c1-12(2)16(6-17)8(5-19-12)9(18)13-11-15-14-10(20-11)7-3-4-7/h6-8H,3-5H2,1-2H3,(H,13,15,18)/t8-/m0/s1
InChIKeyCVDTVJWFIGSGOC-QMMMGPOBSA-N
XLogP1.66
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 717043) is (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is CC1(C)SC[C@@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O.
What is the InChIKey of (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is CVDTVJWFIGSGOC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2)16(6-17)8(5-19-12)9(18)13-11-15-14-10(20-11)7-3-4-7/h6-8H,3-5H2,1-2H3,(H,13,15,18)/t8-/m0/s1.
What are the key properties of (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 717043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).