N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide

C23H33N5O2S — CID 23962902

IUPACN-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN(C(=O)CC(C)(C)C)C2CCCCC2N)cc1
InChIInChI=1S/C23H33N5O2S/c1-15-21(31-27-26-15)22(30)25-17-11-9-16(10-12-17)14-28(20(29)13-23(2,3)4)19-8-6-5-7-18(19)24/h9-12,18-19H,5-8,13-14,24H2,1-4H3,(H,25,30)
InChIKeyKNENKEBRQUVVTB-UHFFFAOYSA-N
MW443.62 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 23962902) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID23962902
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC NameN-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN(C(=O)CC(C)(C)C)C2CCCCC2N)cc1
InChIInChI=1S/C23H33N5O2S/c1-15-21(31-27-26-15)22(30)25-17-11-9-16(10-12-17)14-28(20(29)13-23(2,3)4)19-8-6-5-7-18(19)24/h9-12,18-19H,5-8,13-14,24H2,1-4H3,(H,25,30)
InChIKeyKNENKEBRQUVVTB-UHFFFAOYSA-N
XLogP4.13
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide with MolForge

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-m-tolyl-amide
CID 3219215
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-(3-ethyl-phenyl)-amide
CID 3222579
1-(2-Methylphenyl)-4-{1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24816961
N-(3,4-difluorophenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24790600
(4-Methylthiadiazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 24791406
N-(3,4-dimethylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24793878
N-[4-[(1,1-Dioxido-4-thiomorpholinyl)methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2812629
[1,2,3]Thiadiazole-4-carboxylic acid cyclohexylcarbamoylmethyl-o-tolyl-amide
CID 3219192
4-methyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]thiadiazole-5-carboxamide
CID 7293455
N-(4-isopropylphenyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinamine
CID 24791734
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-p-tolyl-amide
CID 24792714

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 23962902) is N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(CN(C(=O)CC(C)(C)C)C2CCCCC2N)cc1.
What is the InChIKey of N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is KNENKEBRQUVVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c1-15-21(31-27-26-15)22(30)25-17-11-9-16(10-12-17)14-28(20(29)13-23(2,3)4)19-8-6-5-7-18(19)24/h9-12,18-19H,5-8,13-14,24H2,1-4H3,(H,25,30).
What are the key properties of N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 443.62 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 23962902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).