4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide

C11H18N4OS — CID 79687974

IUPAC4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-4-5-12-6-7/h7,12H,4-6H2,1-3H3,(H,13,16)/t7-/m0/s1
InChIKeyDKNVNIFJBRTGLH-ZETCQYMHSA-N
MW254.36 g/mol
LogP0.93
Rot. Bonds2

About 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide

4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 79687974) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
PubChem CID79687974
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-4-5-12-6-7/h7,12H,4-6H2,1-3H3,(H,13,16)/t7-/m0/s1
InChIKeyDKNVNIFJBRTGLH-ZETCQYMHSA-N
XLogP0.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(6-oxopiperidin-3-yl)thiadiazole-5-carboxamide
CID 65210017
4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79685772
4-tert-butyl-N-(2-pyrrolidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210340
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
4-tert-butyl-N-(2-piperidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210288
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
4-tert-butyl-N-[2-(chloromethyl)cyclopentyl]thiadiazole-5-carboxamide
CID 114179382
(4-tert-butylthiadiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 65210533
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 107487037
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide (CID 79687974) is 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is DKNVNIFJBRTGLH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,3)9-8(17-15-14-9)10(16)13-7-4-5-12-6-7/h7,12H,4-6H2,1-3H3,(H,13,16)/t7-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 79687974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).