N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

C18H25N3OS2 — CID 30185272

IUPACN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESCC1CCN(Cc2csc(NC(=O)CCCc3cccs3)n2)CC1
InChIInChI=1S/C18H25N3OS2/c1-14-7-9-21(10-8-14)12-15-13-24-18(19-15)20-17(22)6-2-4-16-5-3-11-23-16/h3,5,11,13-14H,2,4,6-10,12H2,1H3,(H,19,20,22)
InChIKeyNZYWJPYLKRRIBW-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (PubChem CID 30185272) has the molecular formula C18H25N3OS2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
PubChem CID30185272
Molecular FormulaC18H25N3OS2
Molecular Weight363.55 g/mol
Exact Mass363.14
IUPAC NameN-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
SMILESCC1CCN(Cc2csc(NC(=O)CCCc3cccs3)n2)CC1
InChIInChI=1S/C18H25N3OS2/c1-14-7-9-21(10-8-14)12-15-13-24-18(19-15)20-17(22)6-2-4-16-5-3-11-23-16/h3,5,11,13-14H,2,4,6-10,12H2,1H3,(H,19,20,22)
InChIKeyNZYWJPYLKRRIBW-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30186300
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26130484
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216368
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
4-bromo-N-[3-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43004968
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30186058
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18143803
N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 26130496
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46493467
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (CID 30185272) is N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is CC1CCN(Cc2csc(NC(=O)CCCc3cccs3)n2)CC1.
What is the InChIKey of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is NZYWJPYLKRRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2/c1-14-7-9-21(10-8-14)12-15-13-24-18(19-15)20-17(22)6-2-4-16-5-3-11-23-16/h3,5,11,13-14H,2,4,6-10,12H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 363.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 30185272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).