N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C16H17N5O2S — CID 155230217

IUPACN-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-12(18-9-11)14-19-16(24-21-14)20-15-13(22-3)5-4-8-17-15/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyRKHZQSFXUIKSGN-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.53
Rot. Bonds6

About N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine

N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230217) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230217
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1
InChIInChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-12(18-9-11)14-19-16(24-21-14)20-15-13(22-3)5-4-8-17-15/h4-10H,1-3H3,(H,17,19,20,21)
InChIKeyRKHZQSFXUIKSGN-UHFFFAOYSA-N
XLogP3.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230217) is N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is COc1cccnc1Nc1nc(-c2ccc(OC(C)C)cn2)ns1.
What is the InChIKey of N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RKHZQSFXUIKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10(2)23-11-6-7-12(18-9-11)14-19-16(24-21-14)20-15-13(22-3)5-4-8-17-15/h4-10H,1-3H3,(H,17,19,20,21).
What are the key properties of N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 343.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).