2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide

C19H29N3OS — CID 3544141

IUPAC2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
SMILESCC1C(NC(=O)c2csc(C3CCNCC3)n2)CC2CC1C2(C)C
InChIInChI=1S/C19H29N3OS/c1-11-14-8-13(19(14,2)3)9-15(11)21-17(23)16-10-24-18(22-16)12-4-6-20-7-5-12/h10-15,20H,4-9H2,1-3H3,(H,21,23)
InChIKeyBKFSBVJYHFJDPV-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.41
Rot. Bonds3

About 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide

2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide (PubChem CID 3544141) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
PubChem CID3544141
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide
SMILESCC1C(NC(=O)c2csc(C3CCNCC3)n2)CC2CC1C2(C)C
InChIInChI=1S/C19H29N3OS/c1-11-14-8-13(19(14,2)3)9-15(11)21-17(23)16-10-24-18(22-16)12-4-6-20-7-5-12/h10-15,20H,4-9H2,1-3H3,(H,21,23)
InChIKeyBKFSBVJYHFJDPV-UHFFFAOYSA-N
XLogP3.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 99645088
N-(9H-fluoren-9-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3553057
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
N-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
CID 1230918
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
CID 156738991
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
2-cyclohexyl-5-methyl-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-1,3-oxazole-4-carboxamide
CID 170752474
2-(2-aminophenyl)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-oxazole-4-carboxamide
CID 3809103
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide (CID 3544141) is 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide is CC1C(NC(=O)c2csc(C3CCNCC3)n2)CC2CC1C2(C)C.
What is the InChIKey of 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BKFSBVJYHFJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-11-14-8-13(19(14,2)3)9-15(11)21-17(23)16-10-24-18(22-16)12-4-6-20-7-5-12/h10-15,20H,4-9H2,1-3H3,(H,21,23).
What are the key properties of 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide?
2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3544141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).