5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C17H22N8S — CID 125002208

IUPAC5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cc([C@@H]3CCCN3Cc3ccn[nH]3)nc(C)n2)s1
InChIInChI=1S/C17H22N8S/c1-3-16-23-24-17(26-16)21-15-9-13(19-11(2)20-15)14-5-4-8-25(14)10-12-6-7-18-22-12/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20,21,24)/t14-/m0/s1
InChIKeySISUIZMGRUIVPJ-AWEZNQCLSA-N
MW370.49 g/mol
LogP3.00
Rot. Bonds6

About 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 125002208) has the molecular formula C17H22N8S and a molecular weight of 370.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID125002208
Molecular FormulaC17H22N8S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cc([C@@H]3CCCN3Cc3ccn[nH]3)nc(C)n2)s1
InChIInChI=1S/C17H22N8S/c1-3-16-23-24-17(26-16)21-15-9-13(19-11(2)20-15)14-5-4-8-25(14)10-12-6-7-18-22-12/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20,21,24)/t14-/m0/s1
InChIKeySISUIZMGRUIVPJ-AWEZNQCLSA-N
XLogP3.00
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 124998938
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
(2S)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95820547
[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
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836335
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95844414

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 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) is 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2cc([C@@H]3CCCN3Cc3ccn[nH]3)nc(C)n2)s1.
What is the InChIKey of 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SISUIZMGRUIVPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N8S/c1-3-16-23-24-17(26-16)21-15-9-13(19-11(2)20-15)14-5-4-8-25(14)10-12-6-7-18-22-12/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,22)(H,19,20,21,24)/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 370.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-methyl-6-[(2S)-1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125002208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).