5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide

C14H22N4OS — CID 130375913

IUPAC5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2nsc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m0/s1
InChIKeyOGVGLUHDIDMOKP-GXSJLCMTSA-N
MW294.42 g/mol
LogP1.87
Rot. Bonds4

About 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide

5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide (PubChem CID 130375913) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
PubChem CID130375913
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2nsc(C3CC3)n2)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m0/s1
InChIKeyOGVGLUHDIDMOKP-GXSJLCMTSA-N
XLogP1.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
3-methyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807161
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
1-Cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924182
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-1,2,4-thiadiazole-5-carboxamide
CID 138021001
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 22387221

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide (CID 130375913) is 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide is CC(C)N1C[C@H](C)[C@H](NC(=O)c2nsc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is OGVGLUHDIDMOKP-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8(2)18-6-9(3)11(7-18)15-13(19)12-16-14(20-17-12)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,15,19)/t9-,11+/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide?
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 130375913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).