N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine

C14H24N2OS — CID 61331813

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)(C)C)cs1)C1CCOC1
InChIInChI=1S/C14H24N2OS/c1-5-15-12(10-6-7-17-8-10)13-16-11(9-18-13)14(2,3)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyKSTCLXJMDYVFSN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.13
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 61331813) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID61331813
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)(C)C)cs1)C1CCOC1
InChIInChI=1S/C14H24N2OS/c1-5-15-12(10-6-7-17-8-10)13-16-11(9-18-13)14(2,3)4/h9-10,12,15H,5-8H2,1-4H3
InChIKeyKSTCLXJMDYVFSN-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385430
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
CID 115530813
2-[(4-bromooxan-3-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 106471592
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxolan-3-yl)methyl]ethanamine
CID 115856695

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine (CID 61331813) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1nc(C(C)(C)C)cs1)C1CCOC1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is KSTCLXJMDYVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-15-12(10-6-7-17-8-10)13-16-11(9-18-13)14(2,3)4/h9-10,12,15H,5-8H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 61331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).