N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

C23H26N6OS — CID 90256657

IUPACN-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N[C@@H]5CCCNC5)s4)cc23)n1
InChIInChI=1S/C23H26N6OS/c1-14(2)30-21-7-3-6-20(27-21)18-13-25-19-9-8-15(11-17(18)19)22-28-29-23(31-22)26-16-5-4-10-24-12-16/h3,6-9,11,13-14,16,24-25H,4-5,10,12H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyWUTCYYSJWLOLPF-MRXNPFEDSA-N
MW434.57 g/mol
LogP4.70
Rot. Bonds6

About N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90256657) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90256657
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N[C@@H]5CCCNC5)s4)cc23)n1
InChIInChI=1S/C23H26N6OS/c1-14(2)30-21-7-3-6-20(27-21)18-13-25-19-9-8-15(11-17(18)19)22-28-29-23(31-22)26-16-5-4-10-24-12-16/h3,6-9,11,13-14,16,24-25H,4-5,10,12H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyWUTCYYSJWLOLPF-MRXNPFEDSA-N
XLogP4.70
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (CID 90256657) is N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nnc(N[C@@H]5CCCNC5)s4)cc23)n1.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WUTCYYSJWLOLPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-14(2)30-21-7-3-6-20(27-21)18-13-25-19-9-8-15(11-17(18)19)22-28-29-23(31-22)26-16-5-4-10-24-12-16/h3,6-9,11,13-14,16,24-25H,4-5,10,12H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 434.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90256657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).