1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide

C14H15N5O2S — CID 91791956

IUPAC1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)NC(c2ccccc2)c2nnc(N)s2)CC1
InChIInChI=1S/C14H15N5O2S/c15-11(20)14(6-7-14)12(21)17-9(8-4-2-1-3-5-8)10-18-19-13(16)22-10/h1-5,9H,6-7H2,(H2,15,20)(H2,16,19)(H,17,21)
InChIKeyCVYHZGUUECXNGU-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.59
Rot. Bonds5

About 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide

1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 91791956) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
PubChem CID91791956
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)NC(c2ccccc2)c2nnc(N)s2)CC1
InChIInChI=1S/C14H15N5O2S/c15-11(20)14(6-7-14)12(21)17-9(8-4-2-1-3-5-8)10-18-19-13(16)22-10/h1-5,9H,6-7H2,(H2,15,20)(H2,16,19)(H,17,21)
InChIKeyCVYHZGUUECXNGU-UHFFFAOYSA-N
XLogP0.59
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
CID 91776924
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
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]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 72937318
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-(1-methylpiperidin-4-yl)propanamide
CID 126428451
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91761835
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95871532
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]-5-(1-methylpyrrol-2-yl)pyrazolidine-3-carboxamide
CID 134068029

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (CID 91791956) is 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)NC(c2ccccc2)c2nnc(N)s2)CC1.
What is the InChIKey of 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is CVYHZGUUECXNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c15-11(20)14(6-7-14)12(21)17-9(8-4-2-1-3-5-8)10-18-19-13(16)22-10/h1-5,9H,6-7H2,(H2,15,20)(H2,16,19)(H,17,21).
What are the key properties of 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 317.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 91791956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).