N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C14H20N6OS — CID 71867667

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1
InChIInChI=1S/C14H20N6OS/c1-2-12-7-16-13(22-12)8-17-14(21)19-5-3-11(4-6-19)20-10-15-9-18-20/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyRTXCMFHKNLFJDW-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.84
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 71867667) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID71867667
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1
InChIInChI=1S/C14H20N6OS/c1-2-12-7-16-13(22-12)8-17-14(21)19-5-3-11(4-6-19)20-10-15-9-18-20/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyRTXCMFHKNLFJDW-UHFFFAOYSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 113246126
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71915486
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 138022873
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 99824108
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119157133
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 138992824
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71990268
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 71867667) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is RTXCMFHKNLFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-2-12-7-16-13(22-12)8-17-14(21)19-5-3-11(4-6-19)20-10-15-9-18-20/h7,9-11H,2-6,8H2,1H3,(H,17,21).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71867667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).