N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride

C13H10ClN7S — CID 118497351

IUPACN-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.c1nnc(Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)s1
InChIInChI=1S/C13H9N7S.ClH/c1-2-12(19-13-20-17-7-21-13)18-11-3-8(4-14-10(1)11)9-5-15-16-6-9;/h1-7H,(H,15,16)(H,18,19,20);1H
InChIKeyDKCWKCIFWGXTKD-UHFFFAOYSA-N
MW331.79 g/mol
LogP3.04
Rot. Bonds3

About N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride

N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 118497351) has the molecular formula C13H10ClN7S and a molecular weight of 331.79 g/mol. Its IUPAC name is N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID118497351
Molecular FormulaC13H10ClN7S
Molecular Weight331.79 g/mol
Exact Mass331.04
IUPAC NameN-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.c1nnc(Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)s1
InChIInChI=1S/C13H9N7S.ClH/c1-2-12(19-13-20-17-7-21-13)18-11-3-8(4-14-10(1)11)9-5-15-16-6-9;/h1-7H,(H,15,16)(H,18,19,20);1H
InChIKeyDKCWKCIFWGXTKD-UHFFFAOYSA-N
XLogP3.04
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 154938206
1-(cyclopropylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249479
1-(oxan-4-ylmethyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 71249525
1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-(1-methylpiperidin-4-yl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164275
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
1-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164265
1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164317
1-[(1R,3S)-3-(fluoromethyl)cyclopentyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164354
[2-[[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methanol
CID 87945629
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
N-(5-tert-butylpyridazin-3-yl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504129

Frequently Asked Questions

What is the IUPAC name of N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride (CID 118497351) is N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.c1nnc(Nc2ccc3ncc(-c4cn[nH]c4)cc3n2)s1.
What is the InChIKey of N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is DKCWKCIFWGXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7S.ClH/c1-2-12(19-13-20-17-7-21-13)18-11-3-8(4-14-10(1)11)9-5-15-16-6-9;/h1-7H,(H,15,16)(H,18,19,20);1H.
What are the key properties of N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride?
N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 331.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 118497351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).