N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

C18H22N4O2S — CID 27453362

IUPACN-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCCC1
InChIInChI=1S/C18H22N4O2S/c23-16(19-13-8-4-5-9-13)11-10-15-12-25-18(21-15)22-17(24)20-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVMGOXIOIVXBXDE-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide

N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 27453362) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID27453362
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
SMILESO=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCCC1
InChIInChI=1S/C18H22N4O2S/c23-16(19-13-8-4-5-9-13)11-10-15-12-25-18(21-15)22-17(24)20-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVMGOXIOIVXBXDE-UHFFFAOYSA-N
XLogP3.78
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453366
N-(1-benzylpiperidin-4-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453506
N-cycloheptyl-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567701
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
N-cyclopentyl-3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110332925
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453324
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 41211729
N-(2,4-dimethylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453456
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)propanamide
CID 27454132
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 27377337

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide (CID 27453362) is N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is VMGOXIOIVXBXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(19-13-8-4-5-9-13)11-10-15-12-25-18(21-15)22-17(24)20-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide?
N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 358.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 27453362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).