2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

C14H18N4OS — CID 51076847

IUPAC2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(s1)CCCCC2)n1cccn1
InChIInChI=1S/C14H18N4OS/c1-10(18-9-5-8-15-18)13(19)17-14-16-11-6-3-2-4-7-12(11)20-14/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,19)
InChIKeyONDXNNYWFLFBHP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.81
Rot. Bonds3

About 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 51076847) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
PubChem CID51076847
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2c(s1)CCCCC2)n1cccn1
InChIInChI=1S/C14H18N4OS/c1-10(18-9-5-8-15-18)13(19)17-14-16-11-6-3-2-4-7-12(11)20-14/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,19)
InChIKeyONDXNNYWFLFBHP-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 33303284
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581
(2S)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 95761897
2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 46980855
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 4772034
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772310
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9440692
(2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40441323
(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40441324
(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 51390476
(2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 51390477

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (CID 51076847) is 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is CC(C(=O)Nc1nc2c(s1)CCCCC2)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is ONDXNNYWFLFBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10(18-9-5-8-15-18)13(19)17-14-16-11-6-3-2-4-7-12(11)20-14/h5,8-10H,2-4,6-7H2,1H3,(H,16,17,19).
What are the key properties of 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 51076847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).