4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

C13H15N5O2S — CID 29410337

IUPAC4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(CNC(N)=O)cc2)s1
InChIInChI=1S/C13H15N5O2S/c1-2-10-17-18-13(21-10)16-11(19)9-5-3-8(4-6-9)7-15-12(14)20/h3-6H,2,7H2,1H3,(H3,14,15,20)(H,16,18,19)
InChIKeyBUFZCMGZAJFQKQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.52
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide

4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29410337) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29410337
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(CNC(N)=O)cc2)s1
InChIInChI=1S/C13H15N5O2S/c1-2-10-17-18-13(21-10)16-11(19)9-5-3-8(4-6-9)7-15-12(14)20/h3-6H,2,7H2,1H3,(H3,14,15,20)(H,16,18,19)
InChIKeyBUFZCMGZAJFQKQ-UHFFFAOYSA-N
XLogP1.52
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24648084
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-N-methylbenzamide
CID 103933900
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
CID 113341451
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
CID 119125481
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-phenylethoxy)benzamide
CID 54787314
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide (CID 29410337) is 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(CNC(N)=O)cc2)s1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is BUFZCMGZAJFQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-2-10-17-18-13(21-10)16-11(19)9-5-3-8(4-6-9)7-15-12(14)20/h3-6H,2,7H2,1H3,(H3,14,15,20)(H,16,18,19).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29410337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).