N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C18H21N3OS — CID 98753808

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)NC[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H21N3OS/c22-17(20-10-15-7-12-3-4-13(15)6-12)8-16-11-23-18(21-16)14-2-1-5-19-9-14/h1-2,5,9,11-13,15H,3-4,6-8,10H2,(H,20,22)/t12-,13-,15-/m0/s1
InChIKeyFCHRVYINZVTYAI-YDHLFZDLSA-N
MW327.45 g/mol
LogP3.30
Rot. Bonds5

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 98753808) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID98753808
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)NC[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H21N3OS/c22-17(20-10-15-7-12-3-4-13(15)6-12)8-16-11-23-18(21-16)14-2-1-5-19-9-14/h1-2,5,9,11-13,15H,3-4,6-8,10H2,(H,20,22)/t12-,13-,15-/m0/s1
InChIKeyFCHRVYINZVTYAI-YDHLFZDLSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(2-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120601114
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
2-[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242469
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39084461
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 94694926
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 94694925

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 98753808) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)NC[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FCHRVYINZVTYAI-YDHLFZDLSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-17(20-10-15-7-12-3-4-13(15)6-12)8-16-11-23-18(21-16)14-2-1-5-19-9-14/h1-2,5,9,11-13,15H,3-4,6-8,10H2,(H,20,22)/t12-,13-,15-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 98753808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).