N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide

C18H18ClN5OS — CID 143117514

IUPACN-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide
SMILESCNc1ncnc(-c2ccc(C(=O)NCCc3ccc(C)cc3Cl)s2)n1
InChIInChI=1S/C18H18ClN5OS/c1-11-3-4-12(13(19)9-11)7-8-21-17(25)15-6-5-14(26-15)16-22-10-23-18(20-2)24-16/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyGZEDAKYHNYGMKU-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide

N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide (PubChem CID 143117514) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide
PubChem CID143117514
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC NameN-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide
SMILESCNc1ncnc(-c2ccc(C(=O)NCCc3ccc(C)cc3Cl)s2)n1
InChIInChI=1S/C18H18ClN5OS/c1-11-3-4-12(13(19)9-11)7-8-21-17(25)15-6-5-14(26-15)16-22-10-23-18(20-2)24-16/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H,20,22,23,24)
InChIKeyGZEDAKYHNYGMKU-UHFFFAOYSA-N
XLogP3.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11718648
N-[2-(2-methoxyphenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857102
N-[2-(methylamino)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 143117582
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 59857216
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
N-(3-ethoxypropyl)-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carboxamide
CID 53119566
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide (CID 143117514) is N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide is CNc1ncnc(-c2ccc(C(=O)NCCc3ccc(C)cc3Cl)s2)n1.
What is the InChIKey of N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide?
The InChIKey is GZEDAKYHNYGMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-11-3-4-12(13(19)9-11)7-8-21-17(25)15-6-5-14(26-15)16-22-10-23-18(20-2)24-16/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H,20,22,23,24).
What are the key properties of N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide?
N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide has a molecular weight of 387.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenyl)ethyl]-5-[4-(methylamino)-1,3,5-triazin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143117514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).