4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine

C15H29N3OS — CID 81067335

IUPAC4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1nc(N(C)CCOC(C)C)sc1CNC
InChIInChI=1S/C15H29N3OS/c1-7-12(4)14-13(10-16-5)20-15(17-14)18(6)8-9-19-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyNKBCMFWEOHDGAM-UHFFFAOYSA-N
MW299.48 g/mol
LogP3.24
Rot. Bonds9

About 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine

4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine (PubChem CID 81067335) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
PubChem CID81067335
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1nc(N(C)CCOC(C)C)sc1CNC
InChIInChI=1S/C15H29N3OS/c1-7-12(4)14-13(10-16-5)20-15(17-14)18(6)8-9-19-11(2)3/h11-12,16H,7-10H2,1-6H3
InChIKeyNKBCMFWEOHDGAM-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81064695
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 81064697
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 81064680
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
N-methyl-5-[1-(methylamino)ethyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81068221
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 107510634
N-cyclopropyl-N-methyl-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395051

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine (CID 81067335) is 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine is CCC(C)c1nc(N(C)CCOC(C)C)sc1CNC.
What is the InChIKey of 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
The InChIKey is NKBCMFWEOHDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-7-12(4)14-13(10-16-5)20-15(17-14)18(6)8-9-19-11(2)3/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine?
4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine has a molecular weight of 299.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 81067335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).