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

C15H18N4O2S — CID 119125481

IUPAC4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCc1nc(CNC(=O)c2ccc(CNC(N)=O)cc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-2-13-19-12(9-22-13)8-17-14(20)11-5-3-10(4-6-11)7-18-15(16)21/h3-6,9H,2,7-8H2,1H3,(H,17,20)(H3,16,18,21)
InChIKeyFZDJDHFXMHIGHJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.80
Rot. Bonds6

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

4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 119125481) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID119125481
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCc1nc(CNC(=O)c2ccc(CNC(N)=O)cc2)cs1
InChIInChI=1S/C15H18N4O2S/c1-2-13-19-12(9-22-13)8-17-14(20)11-5-3-10(4-6-11)7-18-15(16)21/h3-6,9H,2,7-8H2,1H3,(H,17,20)(H3,16,18,21)
InChIKeyFZDJDHFXMHIGHJ-UHFFFAOYSA-N
XLogP1.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide (CID 119125481) is 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide is CCc1nc(CNC(=O)c2ccc(CNC(N)=O)cc2)cs1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is FZDJDHFXMHIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-13-19-12(9-22-13)8-17-14(20)11-5-3-10(4-6-11)7-18-15(16)21/h3-6,9H,2,7-8H2,1H3,(H,17,20)(H3,16,18,21).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide?
4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 119125481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).