(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C15H23N7O2S2 — CID 95820547

IUPAC(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCc1nnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1
InChIInChI=1S/C15H23N7O2S2/c1-5-14-19-20-15(25-14)18-13-9-11(16-10(2)17-13)12-7-6-8-22(12)26(23,24)21(3)4/h9,12H,5-8H2,1-4H3,(H,16,17,18,20)/t12-/m0/s1
InChIKeyRSCZDKNZYNCSML-LBPRGKRZSA-N
MW397.53 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 95820547) has the molecular formula C15H23N7O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID95820547
Molecular FormulaC15H23N7O2S2
Molecular Weight397.53 g/mol
Exact Mass397.14
IUPAC Name(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCCc1nnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1
InChIInChI=1S/C15H23N7O2S2/c1-5-14-19-20-15(25-14)18-13-9-11(16-10(2)17-13)12-7-6-8-22(12)26(23,24)21(3)4/h9,12H,5-8H2,1-4H3,(H,16,17,18,20)/t12-/m0/s1
InChIKeyRSCZDKNZYNCSML-LBPRGKRZSA-N
XLogP1.89
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
5-ethyl-N-[2-methyl-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820610
5-ethyl-N-[2-methyl-6-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110111894
5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 125002208
[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110255631
(E)-1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766671
5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820160
N-[6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95820334
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 95820547) is (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is CCc1nnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1.
What is the InChIKey of (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is RSCZDKNZYNCSML-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N7O2S2/c1-5-14-19-20-15(25-14)18-13-9-11(16-10(2)17-13)12-7-6-8-22(12)26(23,24)21(3)4/h9,12H,5-8H2,1-4H3,(H,16,17,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 397.53 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 95820547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).