N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide

C18H17N5O2S — CID 95738669

IUPACN-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(N)=O)c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N5O2S/c1-11-7-9-12(10-8-11)16(25)21-14(15(19)24)17-22-23-18(26-17)20-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,19,24)(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyNZPMXJVGSRCRHK-CQSZACIVSA-N
MW367.43 g/mol
LogP2.55
Rot. Bonds6

About N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide

N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide (PubChem CID 95738669) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide
PubChem CID95738669
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(N)=O)c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N5O2S/c1-11-7-9-12(10-8-11)16(25)21-14(15(19)24)17-22-23-18(26-17)20-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,19,24)(H,20,23)(H,21,25)/t14-/m1/s1
InChIKeyNZPMXJVGSRCRHK-CQSZACIVSA-N
XLogP2.55
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide (CID 95738669) is N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C(N)=O)c2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is NZPMXJVGSRCRHK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-7-9-12(10-8-11)16(25)21-14(15(19)24)17-22-23-18(26-17)20-13-5-3-2-4-6-13/h2-10,14H,1H3,(H2,19,24)(H,20,23)(H,21,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide?
N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(5-anilino-1,3,4-thiadiazol-2-yl)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 95738669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).