N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C15H21N5O2S — CID 86834146

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)n[nH]1
InChIInChI=1S/C15H21N5O2S/c1-2-3-11-8-13(19-18-11)14(21)17-15-16-12(10-23-15)9-20-4-6-22-7-5-20/h8,10H,2-7,9H2,1H3,(H,18,19)(H,16,17,21)
InChIKeyMMJUUDXDDFWUPY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.90
Rot. Bonds6

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 86834146) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID86834146
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)n[nH]1
InChIInChI=1S/C15H21N5O2S/c1-2-3-11-8-13(19-18-11)14(21)17-15-16-12(10-23-15)9-20-4-6-22-7-5-20/h8,10H,2-7,9H2,1H3,(H,18,19)(H,16,17,21)
InChIKeyMMJUUDXDDFWUPY-UHFFFAOYSA-N
XLogP1.90
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
3-(4-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 46525016
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 86834146) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2nc(CN3CCOCC3)cs2)n[nH]1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is MMJUUDXDDFWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-2-3-11-8-13(19-18-11)14(21)17-15-16-12(10-23-15)9-20-4-6-22-7-5-20/h8,10H,2-7,9H2,1H3,(H,18,19)(H,16,17,21).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).