4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C15H17N5O2S — CID 55665906

IUPAC4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)s1
InChIInChI=1S/C15H17N5O2S/c1-2-12-19-20-15(23-12)18-13(21)9-3-5-10(6-4-9)16-14(22)17-11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H2,16,17,22)(H,18,20,21)
InChIKeyPFGIKWJUSURDOP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.64
Rot. Bonds5

About 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55665906) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55665906
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)s1
InChIInChI=1S/C15H17N5O2S/c1-2-12-19-20-15(23-12)18-13(21)9-3-5-10(6-4-9)16-14(22)17-11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H2,16,17,22)(H,18,20,21)
InChIKeyPFGIKWJUSURDOP-UHFFFAOYSA-N
XLogP2.64
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[(E)-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxoprop-1-enyl]benzamide
CID 35505774
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119912
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 3238317
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312168
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55665906) is 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(NC(=O)NC3CC3)cc2)s1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PFGIKWJUSURDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-2-12-19-20-15(23-12)18-13(21)9-3-5-10(6-4-9)16-14(22)17-11-7-8-11/h3-6,11H,2,7-8H2,1H3,(H2,16,17,22)(H,18,20,21).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 331.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55665906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).