N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide

C24H21N7OS — CID 122522830

IUPACN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide
SMILESCNCc1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)cc1
InChIInChI=1S/C24H21N7OS/c1-25-13-15-5-7-16(8-6-15)22(32)27-19-4-2-3-17(11-19)23-30-31-24(33-23)28-20-9-10-21-18(12-20)14-26-29-21/h2-12,14,25H,13H2,1H3,(H,26,29)(H,27,32)(H,28,31)
InChIKeyCTVZIORQIKCMTC-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.80
Rot. Bonds7

About N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide (PubChem CID 122522830) has the molecular formula C24H21N7OS and a molecular weight of 455.55 g/mol. Its IUPAC name is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide
PubChem CID122522830
Molecular FormulaC24H21N7OS
Molecular Weight455.55 g/mol
Exact Mass455.15
IUPAC NameN-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide
SMILESCNCc1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)cc1
InChIInChI=1S/C24H21N7OS/c1-25-13-15-5-7-16(8-6-15)22(32)27-19-4-2-3-17(11-19)23-30-31-24(33-23)28-20-9-10-21-18(12-20)14-26-29-21/h2-12,14,25H,13H2,1H3,(H,26,29)(H,27,32)(H,28,31)
InChIKeyCTVZIORQIKCMTC-UHFFFAOYSA-N
XLogP4.80
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 122507386
3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 122507570
4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 145146561
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-methoxypyrimidine-5-carboxamide
CID 122522623
3-(2,2-dimethylpropanoylamino)-N-(1H-indazol-5-yl)benzamide
CID 134037635
6-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 137379434
2-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]pyrazol-1-yl]acetic acid
CID 122522515
2-[3-[5-(1H-isoindol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-1-[4-(methylaminomethyl)phenyl]ethanone
CID 158781929
N-[4-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-3H-pyrrole-5-carboxamide
CID 148976599
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide?
The IUPAC name of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide (CID 122522830) is N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide.
What is the SMILES notation for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide?
The canonical SMILES for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide is CNCc1ccc(C(=O)Nc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2)cc1.
What is the InChIKey of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide?
The InChIKey is CTVZIORQIKCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS/c1-25-13-15-5-7-16(8-6-15)22(32)27-19-4-2-3-17(11-19)23-30-31-24(33-23)28-20-9-10-21-18(12-20)14-26-29-21/h2-12,14,25H,13H2,1H3,(H,26,29)(H,27,32)(H,28,31).
What are the key properties of N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide?
N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide has a molecular weight of 455.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-indazol-5-ylamino)-1,3,4-thiadiazol-2-yl]phenyl]-4-(methylaminomethyl)benzamide is sourced from PubChem (CID 122522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).