2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide

C7H9N5OS — CID 130541201

IUPAC2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CNc1ncncc1C(N)=S
InChIInChI=1S/C7H9N5OS/c8-5(13)2-11-7-4(6(9)14)1-10-3-12-7/h1,3H,2H2,(H2,8,13)(H2,9,14)(H,10,11,12)
InChIKeyNHPUPNKJNMAWEC-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.99
Rot. Bonds4

About 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide

2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide (PubChem CID 130541201) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide
PubChem CID130541201
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CNc1ncncc1C(N)=S
InChIInChI=1S/C7H9N5OS/c8-5(13)2-11-7-4(6(9)14)1-10-3-12-7/h1,3H,2H2,(H2,8,13)(H2,9,14)(H,10,11,12)
InChIKeyNHPUPNKJNMAWEC-UHFFFAOYSA-N
XLogP-0.99
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.99
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

3-[(5-carbamothioylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 112755481
2-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
CID 90839382
4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 142718127
4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbothioamide
CID 112755498
methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
CID 79908313
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]acetamide
CID 66327451
2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
CID 107934350
7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 19431529
5-[(5-bromopyrimidin-4-yl)amino]pentanamide
CID 103915031

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide (CID 130541201) is 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide is NC(=O)CNc1ncncc1C(N)=S.
What is the InChIKey of 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide?
The InChIKey is NHPUPNKJNMAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c8-5(13)2-11-7-4(6(9)14)1-10-3-12-7/h1,3H,2H2,(H2,8,13)(H2,9,14)(H,10,11,12).
What are the key properties of 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide?
2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide has a molecular weight of 211.25 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 130541201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).