1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide

C14H23N5O2S — CID 48779494

IUPAC1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)NCCCN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H23N5O2S/c1-10-9-22-14(17-10)18-13(21)16-5-2-6-19-7-3-11(4-8-19)12(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H2,16,17,18,21)
InChIKeyFFFHXFXZCSUDRW-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.16
Rot. Bonds6

About 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide

1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide (PubChem CID 48779494) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
PubChem CID48779494
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide
SMILESCc1csc(NC(=O)NCCCN2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C14H23N5O2S/c1-10-9-22-14(17-10)18-13(21)16-5-2-6-19-7-3-11(4-8-19)12(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H2,16,17,18,21)
InChIKeyFFFHXFXZCSUDRW-UHFFFAOYSA-N
XLogP1.16
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide (CID 48779494) is 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide is Cc1csc(NC(=O)NCCCN2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide?
The InChIKey is FFFHXFXZCSUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-10-9-22-14(17-10)18-13(21)16-5-2-6-19-7-3-11(4-8-19)12(15)20/h9,11H,2-8H2,1H3,(H2,15,20)(H2,16,17,18,21).
What are the key properties of 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide?
1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 48779494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).