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

C16H21N5S — CID 126917642

IUPACN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)sc1C
InChIInChI=1S/C16H21N5S/c1-10-11(2)22-16(17-10)20(3)13-8-21(9-13)15-7-6-14(18-19-15)12-4-5-12/h6-7,12-13H,4-5,8-9H2,1-3H3
InChIKeyGDYUJLFNDHYNEJ-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.75
Rot. Bonds4

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

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine (PubChem CID 126917642) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
PubChem CID126917642
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)sc1C
InChIInChI=1S/C16H21N5S/c1-10-11(2)22-16(17-10)20(3)13-8-21(9-13)15-7-6-14(18-19-15)12-4-5-12/h6-7,12-13H,4-5,8-9H2,1-3H3
InChIKeyGDYUJLFNDHYNEJ-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 126917388
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-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine (CID 126917642) is N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C2CN(c3ccc(C4CC4)nn3)C2)sc1C.
What is the InChIKey of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine?
The InChIKey is GDYUJLFNDHYNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-10-11(2)22-16(17-10)20(3)13-8-21(9-13)15-7-6-14(18-19-15)12-4-5-12/h6-7,12-13H,4-5,8-9H2,1-3H3.
What are the key properties of N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine?
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,4,5-trimethyl-1,3-thiazol-2-amine has a molecular weight of 315.45 g/mol, XLogP of 2.75, 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,4,5-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126917642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).