N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

C14H13N5O2S — CID 975666

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C14H13N5O2S/c1-9-17-18-14(22-9)16-12(20)6-7-19-8-15-11-5-3-2-4-10(11)13(19)21/h2-5,8H,6-7H2,1H3,(H,16,18,20)
InChIKeyDTHMXCBBWBFDIB-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.59
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 975666) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID975666
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C14H13N5O2S/c1-9-17-18-14(22-9)16-12(20)6-7-19-8-15-11-5-3-2-4-10(11)13(19)21/h2-5,8H,6-7H2,1H3,(H,16,18,20)
InChIKeyDTHMXCBBWBFDIB-UHFFFAOYSA-N
XLogP1.59
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 975666) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is Cc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is DTHMXCBBWBFDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-9-17-18-14(22-9)16-12(20)6-7-19-8-15-11-5-3-2-4-10(11)13(19)21/h2-5,8H,6-7H2,1H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 315.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 975666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).