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

C15H27N3OS — CID 63706852

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CCOCC2)s1
InChIInChI=1S/C15H27N3OS/c1-12(2)8-16-9-14-10-17-15(20-14)18(3)11-13-4-6-19-7-5-13/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyGFCDYBLMXMXABA-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.75
Rot. Bonds7

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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 63706852) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID63706852
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CCOCC2)s1
InChIInChI=1S/C15H27N3OS/c1-12(2)8-16-9-14-10-17-15(20-14)18(3)11-13-4-6-19-7-5-13/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyGFCDYBLMXMXABA-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 55112302
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63864052
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 62752929
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 64543178
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine (CID 63706852) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(C)CC2CCOCC2)s1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is GFCDYBLMXMXABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(2)8-16-9-14-10-17-15(20-14)18(3)11-13-4-6-19-7-5-13/h10,12-13,16H,4-9,11H2,1-3H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63706852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).