4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

C13H21N3OS — CID 119387512

IUPAC4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyBDKDZQYONBRRHJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.92
Rot. Bonds2

About 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 119387512) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID119387512
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCNCC1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyBDKDZQYONBRRHJ-UHFFFAOYSA-N
XLogP1.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
CID 130735690
N-(4-chlorocyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114296876
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 67204816
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111577113
4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 136515701
4-amino-2-(tert-butylamino)-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116662923

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (CID 119387512) is 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncsc1C(=O)NC1CCNCC1.
What is the InChIKey of 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BDKDZQYONBRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119387512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).