N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C16H15N5O2S2 — CID 90527067

IUPACN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)c1cccs1
InChIInChI=1S/C16H15N5O2S2/c22-14(10-21-6-2-5-17-21)20-7-4-11-13(9-20)25-16(18-11)19-15(23)12-3-1-8-24-12/h1-3,5-6,8H,4,7,9-10H2,(H,18,19,23)
InChIKeySSCYCZDMVDDILK-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.24
Rot. Bonds4

About N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90527067) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
PubChem CID90527067
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC NameN-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)c1cccs1
InChIInChI=1S/C16H15N5O2S2/c22-14(10-21-6-2-5-17-21)20-7-4-11-13(9-20)25-16(18-11)19-15(23)12-3-1-8-24-12/h1-3,5-6,8H,4,7,9-10H2,(H,18,19,23)
InChIKeySSCYCZDMVDDILK-UHFFFAOYSA-N
XLogP2.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(azepan-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527077
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527032
N-[5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526847
N-[5-(2,6-difluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526936
N-[5-[(3,5-difluorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527202
N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526956
N-[(4-chlorophenyl)methyl]-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527227
N-[5-(9H-xanthene-9-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90527006
N-(4-methoxyphenyl)-2-(thiophene-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527213
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 95367762
N-[5-(2-phenyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526831

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90527067) is N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2)c1cccs1.
What is the InChIKey of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The InChIKey is SSCYCZDMVDDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c22-14(10-21-6-2-5-17-21)20-7-4-11-13(9-20)25-16(18-11)19-15(23)12-3-1-8-24-12/h1-3,5-6,8H,4,7,9-10H2,(H,18,19,23).
What are the key properties of N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90527067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).