N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide

C20H23FN6O2S — CID 169420207

IUPACN-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(C(=O)NCc3nnc(N)s3)CC2)cc2cc(F)ccc21
InChIInChI=1S/C20H23FN6O2S/c1-27-15-7-4-13(21)8-12(15)9-16(27)19(29)24-14-5-2-11(3-6-14)18(28)23-10-17-25-26-20(22)30-17/h4,7-9,11,14H,2-3,5-6,10H2,1H3,(H2,22,26)(H,23,28)(H,24,29)
InChIKeyQUQSYQSAOWEPIT-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.36
Rot. Bonds5

About N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide

N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide (PubChem CID 169420207) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide
PubChem CID169420207
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC NameN-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(C(=O)NCc3nnc(N)s3)CC2)cc2cc(F)ccc21
InChIInChI=1S/C20H23FN6O2S/c1-27-15-7-4-13(21)8-12(15)9-16(27)19(29)24-14-5-2-11(3-6-14)18(28)23-10-17-25-26-20(22)30-17/h4,7-9,11,14H,2-3,5-6,10H2,1H3,(H2,22,26)(H,23,28)(H,24,29)
InChIKeyQUQSYQSAOWEPIT-UHFFFAOYSA-N
XLogP2.36
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide (CID 169420207) is N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2CCC(C(=O)NCc3nnc(N)s3)CC2)cc2cc(F)ccc21.
What is the InChIKey of N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide?
The InChIKey is QUQSYQSAOWEPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-27-15-7-4-13(21)8-12(15)9-16(27)19(29)24-14-5-2-11(3-6-14)18(28)23-10-17-25-26-20(22)30-17/h4,7-9,11,14H,2-3,5-6,10H2,1H3,(H2,22,26)(H,23,28)(H,24,29).
What are the key properties of N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide?
N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methylcarbamoyl]cyclohexyl]-5-fluoro-1-methylindole-2-carboxamide is sourced from PubChem (CID 169420207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).