N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

C17H15N3O2S2 — CID 32624170

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)s1
InChIInChI=1S/C17H15N3O2S2/c1-9(2)16-19-20-17(24-16)18-15(21)13-7-10-8-22-12-6-4-3-5-11(12)14(10)23-13/h3-7,9H,8H2,1-2H3,(H,18,20,21)
InChIKeyMCCDCMUOIKOYOS-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.53
Rot. Bonds3

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 32624170) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID32624170
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)s1
InChIInChI=1S/C17H15N3O2S2/c1-9(2)16-19-20-17(24-16)18-15(21)13-7-10-8-22-12-6-4-3-5-11(12)14(10)23-13/h3-7,9H,8H2,1-2H3,(H,18,20,21)
InChIKeyMCCDCMUOIKOYOS-UHFFFAOYSA-N
XLogP4.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 32624170) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is CC(C)c1nnc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is MCCDCMUOIKOYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-9(2)16-19-20-17(24-16)18-15(21)13-7-10-8-22-12-6-4-3-5-11(12)14(10)23-13/h3-7,9H,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 32624170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).