N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride

C13H16ClN5OS — CID 118741858

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride
SMILESCc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1.Cl
InChIInChI=1S/C13H15N5OS.ClH/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9;/h5-7,9,14H,2-4H2,1H3,(H,17,18,19);1H
InChIKeyTZXNAKGCTXUDNG-UHFFFAOYSA-N
MW325.83 g/mol
LogP2.34
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride

N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride (PubChem CID 118741858) has the molecular formula C13H16ClN5OS and a molecular weight of 325.83 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride
PubChem CID118741858
Molecular FormulaC13H16ClN5OS
Molecular Weight325.83 g/mol
Exact Mass325.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride
SMILESCc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1.Cl
InChIInChI=1S/C13H15N5OS.ClH/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9;/h5-7,9,14H,2-4H2,1H3,(H,17,18,19);1H
InChIKeyTZXNAKGCTXUDNG-UHFFFAOYSA-N
XLogP2.34
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 1547964
5-(1-methylpiperidin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110257613
5-tert-butyl-6-chloro-N-(4-methylthiazol-2-yl)pyrazine-2-carboxamide
CID 16072454
N-(4-methyl-1,3-thiazol-2-yl)-5-piperidin-4-ylpyrazine-2-carboxamide
CID 95825797
2-[2-[3-[(4-Methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110258409
2-Methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270520
N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide
CID 110271502
N-[4-(aminomethyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 118715039
2-[2-[2-(Pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
1-(cis-4-aminocyclohexyl)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 70747013
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 17456742
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-1-propan-2-ylimidazole-4-carboxamide
CID 100694674

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride (CID 118741858) is N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride is Cc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1.Cl.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride?
The InChIKey is TZXNAKGCTXUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS.ClH/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9;/h5-7,9,14H,2-4H2,1H3,(H,17,18,19);1H.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride?
N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride has a molecular weight of 325.83 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118741858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).