N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H23N5OS — CID 95769661

IUPACN-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCC[C@@H](c3ccn[nH]3)C2)cs1)C1CC1
InChIInChI=1S/C17H23N5OS/c1-12(23)22(15-4-5-15)17-19-14(11-24-17)10-21-8-2-3-13(9-21)16-6-7-18-20-16/h6-7,11,13,15H,2-5,8-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyWDDOELHBLFQUQE-CYBMUJFWSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95769661) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95769661
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(CN2CCC[C@@H](c3ccn[nH]3)C2)cs1)C1CC1
InChIInChI=1S/C17H23N5OS/c1-12(23)22(15-4-5-15)17-19-14(11-24-17)10-21-8-2-3-13(9-21)16-6-7-18-20-16/h6-7,11,13,15H,2-5,8-10H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyWDDOELHBLFQUQE-CYBMUJFWSA-N
XLogP2.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[4-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 75514605
N-cyclopropyl-N-[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 111442466
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
N-methyl-N-[4-[[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97004619
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
CID 71915672
N-cyclopropyl-N-[4-[(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 136537355
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95769661) is N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(CN2CCC[C@@H](c3ccn[nH]3)C2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDDOELHBLFQUQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12(23)22(15-4-5-15)17-19-14(11-24-17)10-21-8-2-3-13(9-21)16-6-7-18-20-16/h6-7,11,13,15H,2-5,8-10H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95769661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).