2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide

C19H25N5O2S — CID 18168283

IUPAC2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H25N5O2S/c1-13-11-15(22-18(26)19(2,3)4)27-16(13)17(25)24-9-7-23(8-10-24)14-12-20-5-6-21-14/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)
InChIKeyNNJHSPPKMNOLOJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.79
Rot. Bonds3

About 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide (PubChem CID 18168283) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
PubChem CID18168283
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H25N5O2S/c1-13-11-15(22-18(26)19(2,3)4)27-16(13)17(25)24-9-7-23(8-10-24)14-12-20-5-6-21-14/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)
InChIKeyNNJHSPPKMNOLOJ-UHFFFAOYSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[4-methyl-5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]propanamide
CID 86941352
N-[5-(4-acetyl-1,4-diazepane-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 94601655
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 30455801
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 120818643
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120818642
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 37165642
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 154821155
2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
CID 33233962

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide (CID 18168283) is 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide?
The InChIKey is NNJHSPPKMNOLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-11-15(22-18(26)19(2,3)4)27-16(13)17(25)24-9-7-23(8-10-24)14-12-20-5-6-21-14/h5-6,11-12H,7-10H2,1-4H3,(H,22,26).
What are the key properties of 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide?
2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide is sourced from PubChem (CID 18168283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).