N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide

C7H7N5OS — CID 65215949

IUPACN-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1csnn1
InChIInChI=1S/C7H7N5OS/c13-7(6-4-14-12-11-6)8-1-5-2-9-10-3-5/h2-4H,1H2,(H,8,13)(H,9,10)
InChIKeyGDDVXBJAELSQKQ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.19
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide

N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 65215949) has the molecular formula C7H7N5OS and a molecular weight of 209.23 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
PubChem CID65215949
Molecular FormulaC7H7N5OS
Molecular Weight209.23 g/mol
Exact Mass209.04
IUPAC NameN-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1csnn1
InChIInChI=1S/C7H7N5OS/c13-7(6-4-14-12-11-6)8-1-5-2-9-10-3-5/h2-4H,1H2,(H,8,13)(H,9,10)
InChIKeyGDDVXBJAELSQKQ-UHFFFAOYSA-N
XLogP0.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
4-[(thiadiazole-4-carbonylamino)methyl]benzoic acid
CID 62033869
N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
N-[[4-(4-chlorophenoxy)phenyl]methyl]thiadiazole-4-carboxamide
CID 73254131
1-(1H-pyrazol-4-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61000037
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
CID 65210270
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
5-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 54897309
N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 60967720

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide (CID 65215949) is N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide is O=C(NCc1cn[nH]c1)c1csnn1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is GDDVXBJAELSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5OS/c13-7(6-4-14-12-11-6)8-1-5-2-9-10-3-5/h2-4H,1H2,(H,8,13)(H,9,10).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide?
N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 209.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 65215949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).