N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide

C13H16N4OS — CID 72893991

IUPACN-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
SMILESCn1ncc2cc(NC(=O)N3CCSCC3)ccc21
InChIInChI=1S/C13H16N4OS/c1-16-12-3-2-11(8-10(12)9-14-16)15-13(18)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,15,18)
InChIKeyYBDOHKMNXUNJSN-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.15
Rot. Bonds1

About N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide

N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide (PubChem CID 72893991) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
PubChem CID72893991
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
SMILESCn1ncc2cc(NC(=O)N3CCSCC3)ccc21
InChIInChI=1S/C13H16N4OS/c1-16-12-3-2-11(8-10(12)9-14-16)15-13(18)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,15,18)
InChIKeyYBDOHKMNXUNJSN-UHFFFAOYSA-N
XLogP2.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
N-(2-methyl-1-oxoisoquinolin-7-yl)thiomorpholine-4-carboxamide
CID 119053057
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065
N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 163830669
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(1-methylindazol-5-yl)piperazine-1-carboxamide
CID 97435699
4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
CID 72841424
4-tert-butyl-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 170434075
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
benzyl N-(1-methylindazol-5-yl)carbamate
CID 69411375

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide (CID 72893991) is N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide is Cn1ncc2cc(NC(=O)N3CCSCC3)ccc21.
What is the InChIKey of N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide?
The InChIKey is YBDOHKMNXUNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-12-3-2-11(8-10(12)9-14-16)15-13(18)17-4-6-19-7-5-17/h2-3,8-9H,4-7H2,1H3,(H,15,18).
What are the key properties of N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide?
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 72893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).