2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide

C11H17N5OS — CID 62683434

IUPAC2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nccnc1C(N)=S
InChIInChI=1S/C11H17N5OS/c1-3-4-15-11(17)7(2)16-10-8(9(12)18)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,14,16)(H,15,17)
InChIKeyCYEVJRGDNHVREZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.44
Rot. Bonds6

About 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide

2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide (PubChem CID 62683434) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
PubChem CID62683434
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nccnc1C(N)=S
InChIInChI=1S/C11H17N5OS/c1-3-4-15-11(17)7(2)16-10-8(9(12)18)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,14,16)(H,15,17)
InChIKeyCYEVJRGDNHVREZ-UHFFFAOYSA-N
XLogP0.44
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3-carbamothioyl-2-pyridinyl)amino]-N-propylpropanamide
CID 54958501
methyl 2-[(3-carbamothioylpyrazin-2-yl)amino]propanoate
CID 62683776
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
3-(3-ethylpentan-2-ylamino)pyrazine-2-carbothioamide
CID 63836391
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
3-(1-methylsulfonylpropan-2-ylamino)pyrazine-2-carbothioamide
CID 64643990
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-propylpropanamide
CID 81036335
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide (CID 62683434) is 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nccnc1C(N)=S.
What is the InChIKey of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide?
The InChIKey is CYEVJRGDNHVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-3-4-15-11(17)7(2)16-10-8(9(12)18)13-5-6-14-10/h5-7H,3-4H2,1-2H3,(H2,12,18)(H,14,16)(H,15,17).
What are the key properties of 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide?
2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide has a molecular weight of 267.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioylpyrazin-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 62683434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).