N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

C13H17N5OS — CID 107375019

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2nc(C)cs2)cn1
InChIInChI=1S/C13H17N5OS/c1-3-4-14-11-6-15-10(5-16-11)13(19)17-7-12-18-9(2)8-20-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)(H,17,19)
InChIKeySKVJJWFKVVFJPG-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.99
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107375019) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107375019
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2nc(C)cs2)cn1
InChIInChI=1S/C13H17N5OS/c1-3-4-14-11-6-15-10(5-16-11)13(19)17-7-12-18-9(2)8-20-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)(H,17,19)
InChIKeySKVJJWFKVVFJPG-UHFFFAOYSA-N
XLogP1.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374799
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376112
N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375878
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257
5-(propylamino)-N-(2-thiophen-3-ylethyl)pyrazine-2-carboxamide
CID 107375151
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107375019) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCc2nc(C)cs2)cn1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is SKVJJWFKVVFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-4-14-11-6-15-10(5-16-11)13(19)17-7-12-18-9(2)8-20-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)(H,17,19).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.99, 6 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)methyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).