N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

C14H17N5O2S — CID 11602174

IUPACN-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2n[nH]c(C(=O)N3CCCCC3)c2s1)C1CC1
InChIInChI=1S/C14H17N5O2S/c20-12(8-4-5-8)16-14-15-11-10(22-14)9(17-18-11)13(21)19-6-2-1-3-7-19/h8H,1-7H2,(H2,15,16,17,18,20)
InChIKeyYUYMPXGVQLHOGG-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.99
Rot. Bonds3

About N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide

N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (PubChem CID 11602174) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
PubChem CID11602174
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2n[nH]c(C(=O)N3CCCCC3)c2s1)C1CC1
InChIInChI=1S/C14H17N5O2S/c20-12(8-4-5-8)16-14-15-11-10(22-14)9(17-18-11)13(21)19-6-2-1-3-7-19/h8H,1-7H2,(H2,15,16,17,18,20)
InChIKeyYUYMPXGVQLHOGG-UHFFFAOYSA-N
XLogP1.99
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
CID 11624136
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
CID 58925660
5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
CID 11594526
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
CID 58925856
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
N-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110475
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
CID 42100024
N-[(5S)-7-oxo-5-(piperidine-1-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]cyclobutanecarboxamide
CID 26399084
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide (CID 11602174) is N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is O=C(Nc1nc2n[nH]c(C(=O)N3CCCCC3)c2s1)C1CC1.
What is the InChIKey of N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
The InChIKey is YUYMPXGVQLHOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-12(8-4-5-8)16-14-15-11-10(22-14)9(17-18-11)13(21)19-6-2-1-3-7-19/h8H,1-7H2,(H2,15,16,17,18,20).
What are the key properties of N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide?
N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11602174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).