N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C14H18N6S — CID 126917398

IUPACN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C14H18N6S/c1-9-15-14(21-18-9)19(2)11-7-20(8-11)13-6-5-12(16-17-13)10-3-4-10/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyHHIJYQCOLVDJCB-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.84
Rot. Bonds4

About N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126917398) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID126917398
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1
InChIInChI=1S/C14H18N6S/c1-9-15-14(21-18-9)19(2)11-7-20(8-11)13-6-5-12(16-17-13)10-3-4-10/h5-6,10-11H,3-4,7-8H2,1-2H3
InChIKeyHHIJYQCOLVDJCB-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
CID 126917642
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 126917647
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 126917591
2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126917402
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 126917388
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126917395
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(1,2-thiazol-4-ylmethyl)azetidin-3-amine
CID 126917524
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-amine
CID 126917504

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 126917398) is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)n1.
What is the InChIKey of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HHIJYQCOLVDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-9-15-14(21-18-9)19(2)11-7-20(8-11)13-6-5-12(16-17-13)10-3-4-10/h5-6,10-11H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 302.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126917398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).