5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C20H23N5S — CID 72548227

IUPAC5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCCc1cnc(Nc2cncc(N3CCCC3c3ccc(C)cc3)n2)s1
InChIInChI=1S/C20H23N5S/c1-3-16-11-22-20(26-16)24-18-12-21-13-19(23-18)25-10-4-5-17(25)15-8-6-14(2)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,22,23,24)
InChIKeyVLOWAYDBRYPCSM-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.89
Rot. Bonds5

About 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 72548227) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID72548227
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCCc1cnc(Nc2cncc(N3CCCC3c3ccc(C)cc3)n2)s1
InChIInChI=1S/C20H23N5S/c1-3-16-11-22-20(26-16)24-18-12-21-13-19(23-18)25-10-4-5-17(25)15-8-6-14(2)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,22,23,24)
InChIKeyVLOWAYDBRYPCSM-UHFFFAOYSA-N
XLogP4.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
N-(1,3-Thiazol-2-yl)pyridin-2-amine 14
CID 5329327
Aminothiazole 4
CID 5329386
Aminothiazole 7
CID 5329389
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391
N-(4-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329392
N-(5-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329393
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 1075887

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 72548227) is 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is CCc1cnc(Nc2cncc(N3CCCC3c3ccc(C)cc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is VLOWAYDBRYPCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-3-16-11-22-20(26-16)24-18-12-21-13-19(23-18)25-10-4-5-17(25)15-8-6-14(2)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,22,23,24).
What are the key properties of 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 365.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72548227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).