3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

C18H24N4O3S — CID 24627533

IUPAC3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCNC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C18H24N4O3S/c1-25-13-8-5-9-14-16(13)22-18(26-14)21-15(23)10-11-19-17(24)20-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,19,20,24)(H,21,22,23)
InChIKeyFTXBWHDICZGADW-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.27
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide

3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 24627533) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID24627533
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCOc1cccc2sc(NC(=O)CCNC(=O)NC3CCCCC3)nc12
InChIInChI=1S/C18H24N4O3S/c1-25-13-8-5-9-14-16(13)22-18(26-14)21-15(23)10-11-19-17(24)20-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,19,20,24)(H,21,22,23)
InChIKeyFTXBWHDICZGADW-UHFFFAOYSA-N
XLogP3.27
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 46616277
N-(1,3-benzothiazol-2-yl)-4-(cyclohexylcarbamoylamino)butanamide
CID 16614965
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
5-(dithiolan-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)pentanamide
CID 24644835
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24564599

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 24627533) is 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is COc1cccc2sc(NC(=O)CCNC(=O)NC3CCCCC3)nc12.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FTXBWHDICZGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-25-13-8-5-9-14-16(13)22-18(26-14)21-15(23)10-11-19-17(24)20-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,19,20,24)(H,21,22,23).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 24627533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).