N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide

C21H24N6O2S — CID 154863906

IUPACN-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1-c1nccs1)C1CCCCC1
InChIInChI=1S/C21H24N6O2S/c1-27(14-7-3-2-4-8-14)20(28)15-9-5-6-10-16(15)24-21(29)25-17-13-23-26-18(17)19-22-11-12-30-19/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,26)(H2,24,25,29)
InChIKeyAXRUDLCAENEOKW-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.58
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide

N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide (PubChem CID 154863906) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide
PubChem CID154863906
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1-c1nccs1)C1CCCCC1
InChIInChI=1S/C21H24N6O2S/c1-27(14-7-3-2-4-8-14)20(28)15-9-5-6-10-16(15)24-21(29)25-17-13-23-26-18(17)19-22-11-12-30-19/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,26)(H2,24,25,29)
InChIKeyAXRUDLCAENEOKW-UHFFFAOYSA-N
XLogP4.58
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
CID 154775138
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CID 4938931
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
CID 4939111
5-cyclopropyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 166316233
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
CID 17133511
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
CID 166234133

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide (CID 154863906) is N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide is CN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1-c1nccs1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide?
The InChIKey is AXRUDLCAENEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-27(14-7-3-2-4-8-14)20(28)15-9-5-6-10-16(15)24-21(29)25-17-13-23-26-18(17)19-22-11-12-30-19/h5-6,9-14H,2-4,7-8H2,1H3,(H,23,26)(H2,24,25,29).
What are the key properties of N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide?
N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide has a molecular weight of 424.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide is sourced from PubChem (CID 154863906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).