3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C16H22N6O2S2 — CID 27377337

IUPAC3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)s1
InChIInChI=1S/C16H22N6O2S2/c1-10-21-22-16(26-10)19-13(23)8-7-12-9-25-15(18-12)20-14(24)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,19,22,23)(H2,17,18,20,24)
InChIKeyOEJZYZDEAZOGQI-UHFFFAOYSA-N
MW394.53 g/mol
LogP3.33
Rot. Bonds6

About 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 27377337) has the molecular formula C16H22N6O2S2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID27377337
Molecular FormulaC16H22N6O2S2
Molecular Weight394.53 g/mol
Exact Mass394.12
IUPAC Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)s1
InChIInChI=1S/C16H22N6O2S2/c1-10-21-22-16(26-10)19-13(23)8-7-12-9-25-15(18-12)20-14(24)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,19,22,23)(H2,17,18,20,24)
InChIKeyOEJZYZDEAZOGQI-UHFFFAOYSA-N
XLogP3.33
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453362
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 20930030
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43996982
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 27463137
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 43996974
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 27377337) is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)s1.
What is the InChIKey of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OEJZYZDEAZOGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S2/c1-10-21-22-16(26-10)19-13(23)8-7-12-9-25-15(18-12)20-14(24)17-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,19,22,23)(H2,17,18,20,24).
What are the key properties of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 394.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 27377337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).