N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine

C16H31N3OS — CID 62752928

IUPACN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCOC)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-6-14(7-2)19(8-9-20-5)16-18-12-15(21-16)11-17-10-13(3)4/h12-14,17H,6-11H2,1-5H3
InChIKeyXLTCFOQJAFLPAI-UHFFFAOYSA-N
MW313.51 g/mol
LogP3.53
Rot. Bonds11

About N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 62752928) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID62752928
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(CCOC)c1ncc(CNCC(C)C)s1
InChIInChI=1S/C16H31N3OS/c1-6-14(7-2)19(8-9-20-5)16-18-12-15(21-16)11-17-10-13(3)4/h12-14,17H,6-11H2,1-5H3
InChIKeyXLTCFOQJAFLPAI-UHFFFAOYSA-N
XLogP3.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 53626923
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112014
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750613
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750616
N-ethyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752517
5-[(propan-2-ylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752519
N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752680
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752684
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752862
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62753563
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62753564

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine (CID 62752928) is N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(CCOC)c1ncc(CNCC(C)C)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is XLTCFOQJAFLPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-6-14(7-2)19(8-9-20-5)16-18-12-15(21-16)11-17-10-13(3)4/h12-14,17H,6-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 313.51 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62752928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).