N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide

C20H19N5OS — CID 8780720

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc21
InChIInChI=1S/C20H19N5OS/c1-4-25-18-8-7-15(10-16(18)23-24-25)19(26)22-20-21-17(11-27-20)14-6-5-12(2)13(3)9-14/h5-11H,4H2,1-3H3,(H,21,22,26)
InChIKeyKOGSZQYAVWCPBE-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 8780720) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID8780720
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc21
InChIInChI=1S/C20H19N5OS/c1-4-25-18-8-7-15(10-16(18)23-24-25)19(26)22-20-21-17(11-27-20)14-6-5-12(2)13(3)9-14/h5-11H,4H2,1-3H3,(H,21,22,26)
InChIKeyKOGSZQYAVWCPBE-UHFFFAOYSA-N
XLogP4.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzotriazole-5-carboxamide
CID 16550447
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide (CID 8780720) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)ccc21.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is KOGSZQYAVWCPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-4-25-18-8-7-15(10-16(18)23-24-25)19(26)22-20-21-17(11-27-20)14-6-5-12(2)13(3)9-14/h5-11H,4H2,1-3H3,(H,21,22,26).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 8780720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).