N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

C15H21N3OS — CID 131950069

IUPACN-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC#CCN1CCC(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C15H21N3OS/c1-2-3-4-7-18-8-5-13(6-9-18)10-16-15(19)14-11-20-12-17-14/h11-13H,2,5-10H2,1H3,(H,16,19)
InChIKeyHAMUQXSFYMSEBD-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.00
Rot. Bonds4

About N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131950069) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID131950069
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC#CCN1CCC(CNC(=O)c2cscn2)CC1
InChIInChI=1S/C15H21N3OS/c1-2-3-4-7-18-8-5-13(6-9-18)10-16-15(19)14-11-20-12-17-14/h11-13H,2,5-10H2,1H3,(H,16,19)
InChIKeyHAMUQXSFYMSEBD-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-pent-2-ynylpiperidin-4-yl)methyl]benzamide
CID 131929470
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
3-methyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]furan-2-carboxamide
CID 131925360
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
2,4-dimethyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide;formic acid
CID 154913506
2-cyclopentyl-N-[(1-pent-2-ynylpiperidin-4-yl)methyl]acetamide
CID 131898207
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[(1,3-thiazole-4-carbonylamino)methyl]pyrrolidin-2-yl]acetate
CID 165420303
N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97459865

Frequently Asked Questions

What is the IUPAC name of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 131950069) is N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is CCC#CCN1CCC(CNC(=O)c2cscn2)CC1.
What is the InChIKey of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HAMUQXSFYMSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-3-4-7-18-8-5-13(6-9-18)10-16-15(19)14-11-20-12-17-14/h11-13H,2,5-10H2,1H3,(H,16,19).
What are the key properties of N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131950069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).