N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C18H23N5S — CID 126917591

IUPACN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCN(c1nc2c(s1)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5S/c1-22(18-19-15-4-2-3-5-16(15)24-18)13-10-23(11-13)17-9-8-14(20-21-17)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyRWCCVJCZGAXTQO-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.01
Rot. Bonds4

About N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 126917591) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID126917591
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCN(c1nc2c(s1)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H23N5S/c1-22(18-19-15-4-2-3-5-16(15)24-18)13-10-23(11-13)17-9-8-14(20-21-17)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyRWCCVJCZGAXTQO-UHFFFAOYSA-N
XLogP3.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126917398
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 126917647
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 126921451
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-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)azetidin-3-amine
CID 126917510
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-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine
CID 126917666
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 126919127
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 126917591) is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CN(c1nc2c(s1)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is RWCCVJCZGAXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-22(18-19-15-4-2-3-5-16(15)24-18)13-10-23(11-13)17-9-8-14(20-21-17)12-6-7-12/h8-9,12-13H,2-7,10-11H2,1H3.
What are the key properties of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 341.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126917591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).