2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine

C17H18N6OS — CID 155230363

IUPAC2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1
InChIInChI=1S/C17H18N6OS/c1-23(2)14-4-3-9-18-16(14)21-17-20-15(22-25-17)13-8-7-12(10-19-13)24-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,20,21,22)
InChIKeyHQKFIKGMUDANSS-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.35
Rot. Bonds6

About 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine

2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine (PubChem CID 155230363) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine
PubChem CID155230363
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1
InChIInChI=1S/C17H18N6OS/c1-23(2)14-4-3-9-18-16(14)21-17-20-15(22-25-17)13-8-7-12(10-19-13)24-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,20,21,22)
InChIKeyHQKFIKGMUDANSS-UHFFFAOYSA-N
XLogP3.35
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine (CID 155230363) is 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine is CN(C)c1cccnc1Nc1nc(-c2ccc(OC3CC3)cn2)ns1.
What is the InChIKey of 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine?
The InChIKey is HQKFIKGMUDANSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-23(2)14-4-3-9-18-16(14)21-17-20-15(22-25-17)13-8-7-12(10-19-13)24-11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,18,20,21,22).
What are the key properties of 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine?
2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine has a molecular weight of 354.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 155230363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).