2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

C14H18N4OS — CID 72891309

IUPAC2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC(C)Cc2cnccn2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-4-13-18-12(9-20-13)14(19)17-10(2)7-11-8-15-5-6-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyRFFXFUWTDVSRDS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.25
Rot. Bonds6

About 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 72891309) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID72891309
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC(C)Cc2cnccn2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-4-13-18-12(9-20-13)14(19)17-10(2)7-11-8-15-5-6-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyRFFXFUWTDVSRDS-UHFFFAOYSA-N
XLogP2.25
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1H-pyrazole-3-carboxamide
CID 97118223
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97129067
2-amino-4-methyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 99954745
N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 91790811
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119791060

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 72891309) is 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC(C)Cc2cnccn2)cs1.
What is the InChIKey of 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RFFXFUWTDVSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-4-13-18-12(9-20-13)14(19)17-10(2)7-11-8-15-5-6-16-11/h5-6,8-10H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72891309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).