N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide

C18H21N5OS — CID 20889456

IUPACN-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCCc1ccc(CNC(=O)CN(C)c2nnc(-n3cccc3)s2)cc1
InChIInChI=1S/C18H21N5OS/c1-3-14-6-8-15(9-7-14)12-19-16(24)13-22(2)17-20-21-18(25-17)23-10-4-5-11-23/h4-11H,3,12-13H2,1-2H3,(H,19,24)
InChIKeyKPBWPNFQTLSOPH-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.64
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide

N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide (PubChem CID 20889456) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
PubChem CID20889456
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCCc1ccc(CNC(=O)CN(C)c2nnc(-n3cccc3)s2)cc1
InChIInChI=1S/C18H21N5OS/c1-3-14-6-8-15(9-7-14)12-19-16(24)13-22(2)17-20-21-18(25-17)23-10-4-5-11-23/h4-11H,3,12-13H2,1-2H3,(H,19,24)
InChIKeyKPBWPNFQTLSOPH-UHFFFAOYSA-N
XLogP2.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20958250
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N-[(4-ethoxyphenyl)methyl]-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893159
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
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CID 50772431
N-[(4-methoxyphenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
CID 53195758
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
CID 22513617
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 53041259
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 53195787
2-[[5-(tert-butylamino)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide (CID 20889456) is N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide is CCc1ccc(CNC(=O)CN(C)c2nnc(-n3cccc3)s2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The InChIKey is KPBWPNFQTLSOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-3-14-6-8-15(9-7-14)12-19-16(24)13-22(2)17-20-21-18(25-17)23-10-4-5-11-23/h4-11H,3,12-13H2,1-2H3,(H,19,24).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide?
N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide has a molecular weight of 355.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-[methyl-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)amino]acetamide is sourced from PubChem (CID 20889456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).