N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C15H14N6O3S — CID 91761835

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESNc1nnc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2ccccc2)s1
InChIInChI=1S/C15H14N6O3S/c16-14-21-20-13(25-14)11(8-4-2-1-3-5-8)18-10(22)6-9-7-17-15(24)19-12(9)23/h1-5,7,11H,6H2,(H2,16,21)(H,18,22)(H2,17,19,23,24)
InChIKeyCWXUXKFNUKVHCW-UHFFFAOYSA-N
MW358.38 g/mol
LogP-0.05
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91761835) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91761835
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESNc1nnc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2ccccc2)s1
InChIInChI=1S/C15H14N6O3S/c16-14-21-20-13(25-14)11(8-4-2-1-3-5-8)18-10(22)6-9-7-17-15(24)19-12(9)23/h1-5,7,11H,6H2,(H2,16,21)(H,18,22)(H2,17,19,23,24)
InChIKeyCWXUXKFNUKVHCW-UHFFFAOYSA-N
XLogP-0.05
TPSA146.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95871532
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
CID 91776924
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 91791956
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70753415
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 91770993
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-pyrazol-1-ylbenzamide
CID 95140346
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 126444506
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 72937318

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91761835) is N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Nc1nnc(C(NC(=O)Cc2c[nH]c(=O)[nH]c2=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is CWXUXKFNUKVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c16-14-21-20-13(25-14)11(8-4-2-1-3-5-8)18-10(22)6-9-7-17-15(24)19-12(9)23/h1-5,7,11H,6H2,(H2,16,21)(H,18,22)(H2,17,19,23,24).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 358.38 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91761835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).