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

C14H27N5OS — CID 63896681

IUPAC5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CN(C)CCN1C
InChIInChI=1S/C14H27N5OS/c1-17(2)14-16-13(20-5)12(21-14)9-15-8-11-10-18(3)6-7-19(11)4/h11,15H,6-10H2,1-5H3
InChIKeyRVLGOQXMXDYRRA-UHFFFAOYSA-N
MW313.47 g/mol
LogP0.55
Rot. Bonds6

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

5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 63896681) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID63896681
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC1CN(C)CCN1C
InChIInChI=1S/C14H27N5OS/c1-17(2)14-16-13(20-5)12(21-14)9-15-8-11-10-18(3)6-7-19(11)4/h11,15H,6-10H2,1-5H3
InChIKeyRVLGOQXMXDYRRA-UHFFFAOYSA-N
XLogP0.55
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 63896681) is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCC1CN(C)CCN1C.
What is the InChIKey of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RVLGOQXMXDYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-17(2)14-16-13(20-5)12(21-14)9-15-8-11-10-18(3)6-7-19(11)4/h11,15H,6-10H2,1-5H3.
What are the key properties of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 313.47 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63896681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).