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

C19H23N5OS — CID 155230274

IUPACN-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1N(c1nc(-c2ccc(OC(C)C)cn2)ns1)C(C)C
InChIInChI=1S/C19H23N5OS/c1-12(2)24(18-14(5)7-6-10-20-18)19-22-17(23-26-19)16-9-8-15(11-21-16)25-13(3)4/h6-13H,1-5H3
InChIKeyKVRNSPDTBYZUGA-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.64
Rot. Bonds6

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

N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230274) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230274
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1N(c1nc(-c2ccc(OC(C)C)cn2)ns1)C(C)C
InChIInChI=1S/C19H23N5OS/c1-12(2)24(18-14(5)7-6-10-20-18)19-22-17(23-26-19)16-9-8-15(11-21-16)25-13(3)4/h6-13H,1-5H3
InChIKeyKVRNSPDTBYZUGA-UHFFFAOYSA-N
XLogP4.64
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230274) is N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1N(c1nc(-c2ccc(OC(C)C)cn2)ns1)C(C)C.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KVRNSPDTBYZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12(2)24(18-14(5)7-6-10-20-18)19-22-17(23-26-19)16-9-8-15(11-21-16)25-13(3)4/h6-13H,1-5H3.
What are the key properties of N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 369.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-N-propan-2-yl-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).