4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide

C16H22N6OS — CID 125018109

IUPAC4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C
InChIInChI=1S/C16H22N6OS/c1-4-12-15(24-21-20-12)16(23)18-9-11-8-17-10(2)19-14(11)13-6-5-7-22(13)3/h8,13H,4-7,9H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyXMFUGDJRJBAKFN-ZDUSSCGKSA-N
MW346.46 g/mol
LogP1.90
Rot. Bonds5

About 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 125018109) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
PubChem CID125018109
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C
InChIInChI=1S/C16H22N6OS/c1-4-12-15(24-21-20-12)16(23)18-9-11-8-17-10(2)19-14(11)13-6-5-7-22(13)3/h8,13H,4-7,9H2,1-3H3,(H,18,23)/t13-/m0/s1
InChIKeyXMFUGDJRJBAKFN-ZDUSSCGKSA-N
XLogP1.90
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-6-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750157
4-propyl-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71808203
2-tert-butyl-6-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56743995
12-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4,6,12-triazatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-triene
CID 91625030
(4-Ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110113701
[2-(4-Cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(4-methylthiadiazol-5-yl)methanone
CID 59670339
2-isobutyl-6-[(4-propyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56749468
2-isobutyl-6-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56755169
7-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56919064
4-propyl-N-{2-[6-(1-pyrrolidinyl)-4-pyrimidinyl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 70714244
4-methyl-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)thiadiazole-5-carboxamide
CID 71689671
(7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 72719383

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide (CID 125018109) is 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cnc(C)nc1[C@@H]1CCCN1C.
What is the InChIKey of 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is XMFUGDJRJBAKFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-4-12-15(24-21-20-12)16(23)18-9-11-8-17-10(2)19-14(11)13-6-5-7-22(13)3/h8,13H,4-7,9H2,1-3H3,(H,18,23)/t13-/m0/s1.
What are the key properties of 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 125018109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).