N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine

C15H23N5OS — CID 71929280

IUPACN,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNCC2CCOC2c2cnn(C)c2)s1
InChIInChI=1S/C15H23N5OS/c1-19(2)15-17-9-13(22-15)8-16-6-11-4-5-21-14(11)12-7-18-20(3)10-12/h7,9-11,14,16H,4-6,8H2,1-3H3
InChIKeyZFQWCFXQCPNKQA-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.81
Rot. Bonds6

About N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 71929280) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID71929280
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNCC2CCOC2c2cnn(C)c2)s1
InChIInChI=1S/C15H23N5OS/c1-19(2)15-17-9-13(22-15)8-16-6-11-4-5-21-14(11)12-7-18-20(3)10-12/h7,9-11,14,16H,4-6,8H2,1-3H3
InChIKeyZFQWCFXQCPNKQA-UHFFFAOYSA-N
XLogP1.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.81
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-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine (CID 71929280) is N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine is CN(C)c1ncc(CNCC2CCOC2c2cnn(C)c2)s1.
What is the InChIKey of N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZFQWCFXQCPNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-19(2)15-17-9-13(22-15)8-16-6-11-4-5-21-14(11)12-7-18-20(3)10-12/h7,9-11,14,16H,4-6,8H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 321.45 g/mol, XLogP of 1.81, 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-[[[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71929280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).