N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide

C16H18N6O2S — CID 1400342

IUPACN-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C16H18N6O2S/c1-9(2)15-21-22-16(25-15)19-14(24)6-5-13(23)18-11-4-3-10-8-17-20-12(10)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,22,24)
InChIKeyYCEQVMIDFBOQTA-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.90
Rot. Bonds6

About N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide

N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1400342) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1400342
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
InChIInChI=1S/C16H18N6O2S/c1-9(2)15-21-22-16(25-15)19-14(24)6-5-13(23)18-11-4-3-10-8-17-20-12(10)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,22,24)
InChIKeyYCEQVMIDFBOQTA-UHFFFAOYSA-N
XLogP2.90
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1400342) is N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1.
What is the InChIKey of N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is YCEQVMIDFBOQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-9(2)15-21-22-16(25-15)19-14(24)6-5-13(23)18-11-4-3-10-8-17-20-12(10)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,20)(H,18,23)(H,19,22,24).
What are the key properties of N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 358.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1400342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).