N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide

C16H24N4O2S — CID 97219025

IUPACN-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNC(=O)C1CCCC1)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C16H24N4O2S/c21-14(12-3-1-2-4-12)17-7-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22)/t13-/m0/s1
InChIKeyJJSWAUQVAULPMZ-ZDUSSCGKSA-N
MW336.46 g/mol
LogP2.20
Rot. Bonds7

About N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide

N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide (PubChem CID 97219025) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
PubChem CID97219025
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNC(=O)C1CCCC1)N[C@H](c1nccs1)C1CC1
InChIInChI=1S/C16H24N4O2S/c21-14(12-3-1-2-4-12)17-7-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22)/t13-/m0/s1
InChIKeyJJSWAUQVAULPMZ-ZDUSSCGKSA-N
XLogP2.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide (CID 97219025) is N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide is O=C(NCCNC(=O)C1CCCC1)N[C@H](c1nccs1)C1CC1.
What is the InChIKey of N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is JJSWAUQVAULPMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-14(12-3-1-2-4-12)17-7-8-19-16(22)20-13(11-5-6-11)15-18-9-10-23-15/h9-13H,1-8H2,(H,17,21)(H2,19,20,22)/t13-/m0/s1.
What are the key properties of N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide?
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 97219025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).