N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide

C19H17N7OS2 — CID 55570214

IUPACN-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SCc3nc(N)c4ccccc4n3)s2)c1
InChIInChI=1S/C19H17N7OS2/c1-11(27)21-12-5-4-6-13(9-12)22-18-25-26-19(29-18)28-10-16-23-15-8-3-2-7-14(15)17(20)24-16/h2-9H,10H2,1H3,(H,21,27)(H,22,25)(H2,20,23,24)
InChIKeyTZVBAKCRJMJMFI-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.06
Rot. Bonds6

About N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide

N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide (PubChem CID 55570214) has the molecular formula C19H17N7OS2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
PubChem CID55570214
Molecular FormulaC19H17N7OS2
Molecular Weight423.53 g/mol
Exact Mass423.09
IUPAC NameN-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(SCc3nc(N)c4ccccc4n3)s2)c1
InChIInChI=1S/C19H17N7OS2/c1-11(27)21-12-5-4-6-13(9-12)22-18-25-26-19(29-18)28-10-16-23-15-8-3-2-7-14(15)17(20)24-16/h2-9H,10H2,1H3,(H,21,27)(H,22,25)(H2,20,23,24)
InChIKeyTZVBAKCRJMJMFI-UHFFFAOYSA-N
XLogP4.06
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 27919031
5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 27936052
N-[3-[[5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575696
N-[3-[[5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55570125
N-[3-[[5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575699
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 55570119
N-[3-[[5-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46575405
N-[3-[[5-[3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 43056653
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 42890055
N-[3-[[5-[3-(4-methoxyphenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55570782
N-[3-[[5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46596252
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 46575698

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide (CID 55570214) is N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nnc(SCc3nc(N)c4ccccc4n3)s2)c1.
What is the InChIKey of N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is TZVBAKCRJMJMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c1-11(27)21-12-5-4-6-13(9-12)22-18-25-26-19(29-18)28-10-16-23-15-8-3-2-7-14(15)17(20)24-16/h2-9H,10H2,1H3,(H,21,27)(H,22,25)(H2,20,23,24).
What are the key properties of N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 423.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 55570214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).