N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C16H21N3OS2 — CID 75463616

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C16H21N3OS2/c1-12-4-2-3-7-19(12)8-6-17-15(20)14-10-18-16(22-14)13-5-9-21-11-13/h5,9-12H,2-4,6-8H2,1H3,(H,17,20)
InChIKeyHFTHRPRUCAPDPN-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 75463616) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID75463616
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC1CCCCN1CCNC(=O)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C16H21N3OS2/c1-12-4-2-3-7-19(12)8-6-17-15(20)14-10-18-16(22-14)13-5-9-21-11-13/h5,9-12H,2-4,6-8H2,1H3,(H,17,20)
InChIKeyHFTHRPRUCAPDPN-UHFFFAOYSA-N
XLogP3.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 47352688
7,8-dimethyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 92869945
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145743
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 95095752
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111484821
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495
N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120830738
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111471875
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 95050767

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 75463616) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CC1CCCCN1CCNC(=O)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HFTHRPRUCAPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-12-4-2-3-7-19(12)8-6-17-15(20)14-10-18-16(22-14)13-5-9-21-11-13/h5,9-12H,2-4,6-8H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75463616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).