5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine

C14H27N3O2S — CID 62753796

IUPAC5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H27N3O2S/c1-14(2,3)16-11-12-10-15-13(20-12)17(6-8-18-4)7-9-19-5/h10,16H,6-9,11H2,1-5H3
InChIKeyPMSZMWGSYYFRAT-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.13
Rot. Bonds9

About 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 62753796) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID62753796
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CCOC)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H27N3O2S/c1-14(2,3)16-11-12-10-15-13(20-12)17(6-8-18-4)7-9-19-5/h10,16H,6-9,11H2,1-5H3
InChIKeyPMSZMWGSYYFRAT-UHFFFAOYSA-N
XLogP2.13
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine (CID 62753796) is 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine is COCCN(CCOC)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is PMSZMWGSYYFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-14(2,3)16-11-12-10-15-13(20-12)17(6-8-18-4)7-9-19-5/h10,16H,6-9,11H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 301.46 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).