N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

C15H25N3OS — CID 110386823

IUPACN-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCC(C)NC(=O)Cc1csc(CN2CCCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-12(2)16-14(19)9-13-11-20-15(17-13)10-18-7-5-4-6-8-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeySRPFCVNWIHDMJC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds6

About N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386823) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386823
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCC(C)NC(=O)Cc1csc(CN2CCCCC2)n1
InChIInChI=1S/C15H25N3OS/c1-3-12(2)16-14(19)9-13-11-20-15(17-13)10-18-7-5-4-6-8-18/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeySRPFCVNWIHDMJC-UHFFFAOYSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386565
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386650
N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386648
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 60716435
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386823) is N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is CCC(C)NC(=O)Cc1csc(CN2CCCCC2)n1.
What is the InChIKey of N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is SRPFCVNWIHDMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-12(2)16-14(19)9-13-11-20-15(17-13)10-18-7-5-4-6-8-18/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 295.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).