N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine

C15H22N6S — CID 126916800

IUPACN,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CC(CNCc3cnc(N(C)C)s3)C2)nn1
InChIInChI=1S/C15H22N6S/c1-11-4-5-14(19-18-11)21-9-12(10-21)6-16-7-13-8-17-15(22-13)20(2)3/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeySXHPXNPMAJOXIT-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.53
Rot. Bonds6

About N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 126916800) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID126916800
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(N2CC(CNCc3cnc(N(C)C)s3)C2)nn1
InChIInChI=1S/C15H22N6S/c1-11-4-5-14(19-18-11)21-9-12(10-21)6-16-7-13-8-17-15(22-13)20(2)3/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeySXHPXNPMAJOXIT-UHFFFAOYSA-N
XLogP1.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine (CID 126916800) is N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine is Cc1ccc(N2CC(CNCc3cnc(N(C)C)s3)C2)nn1.
What is the InChIKey of N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is SXHPXNPMAJOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-11-4-5-14(19-18-11)21-9-12(10-21)6-16-7-13-8-17-15(22-13)20(2)3/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 318.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126916800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).