N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C15H27N3OS — CID 63706345

IUPACN,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCOCC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)16-9-14-12(3)17-15(20-14)18(4)10-13-5-7-19-8-6-13/h11,13,16H,5-10H2,1-4H3
InChIKeyMLLIFESXMJJAMZ-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.81
Rot. Bonds6

About N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 63706345) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID63706345
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CC2CCOCC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3OS/c1-11(2)16-9-14-12(3)17-15(20-14)18(4)10-13-5-7-19-8-6-13/h11,13,16H,5-10H2,1-4H3
InChIKeyMLLIFESXMJJAMZ-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 63706345) is N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)CC2CCOCC2)sc1CNC(C)C.
What is the InChIKey of N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is MLLIFESXMJJAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-11(2)16-9-14-12(3)17-15(20-14)18(4)10-13-5-7-19-8-6-13/h11,13,16H,5-10H2,1-4H3.
What are the key properties of N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63706345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).