N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide

C12H18N4O2S — CID 47076630

IUPACN-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1nccs1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N4O2S/c1-8(10(17)15-9-4-2-3-5-9)14-11(18)16-12-13-6-7-19-12/h6-9H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18)
InChIKeyIXCFUMUHQKMEKD-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.71
Rot. Bonds4

About N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide

N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide (PubChem CID 47076630) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
PubChem CID47076630
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1nccs1)C(=O)NC1CCCC1
InChIInChI=1S/C12H18N4O2S/c1-8(10(17)15-9-4-2-3-5-9)14-11(18)16-12-13-6-7-19-12/h6-9H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18)
InChIKeyIXCFUMUHQKMEKD-UHFFFAOYSA-N
XLogP1.71
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide?
The IUPAC name of N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide (CID 47076630) is N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide is CC(NC(=O)Nc1nccs1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide?
The InChIKey is IXCFUMUHQKMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(10(17)15-9-4-2-3-5-9)14-11(18)16-12-13-6-7-19-12/h6-9H,2-5H2,1H3,(H,15,17)(H2,13,14,16,18).
What are the key properties of N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide?
N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide has a molecular weight of 282.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,3-thiazol-2-ylcarbamoylamino)propanamide is sourced from PubChem (CID 47076630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).