4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

C13H13N5O2S — CID 78770285

IUPAC4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H13N5O2S/c14-12(20)15-9-5-3-7(4-6-9)10(19)16-13-18-17-11(21-13)8-1-2-8/h3-6,8H,1-2H2,(H3,14,15,20)(H,16,18,19)
InChIKeyVKRUEPHKRLVUBF-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.16
Rot. Bonds4

About 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide

4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 78770285) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID78770285
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H13N5O2S/c14-12(20)15-9-5-3-7(4-6-9)10(19)16-13-18-17-11(21-13)8-1-2-8/h3-6,8H,1-2H2,(H3,14,15,20)(H,16,18,19)
InChIKeyVKRUEPHKRLVUBF-UHFFFAOYSA-N
XLogP2.16
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
CID 29411630
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
4-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 29411788
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24647505
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
4-bromo-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 8502998
3-(tert-butylsulfamoyl)-4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30279749
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45267483

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (CID 78770285) is 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is NC(=O)Nc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VKRUEPHKRLVUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c14-12(20)15-9-5-3-7(4-6-9)10(19)16-13-18-17-11(21-13)8-1-2-8/h3-6,8H,1-2H2,(H3,14,15,20)(H,16,18,19).
What are the key properties of 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 303.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 78770285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).