N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine

C17H25N3S — CID 43767328

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)c1ccccn1
InChIInChI=1S/C17H25N3S/c1-11(14-9-7-8-10-18-14)19-12(2)15-13(3)20-16(21-15)17(4,5)6/h7-12,19H,1-6H3
InChIKeyQUCHHWOBQLEERU-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 43767328) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID43767328
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)c1ccccn1
InChIInChI=1S/C17H25N3S/c1-11(14-9-7-8-10-18-14)19-12(2)15-13(3)20-16(21-15)17(4,5)6/h7-12,19H,1-6H3
InChIKeyQUCHHWOBQLEERU-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392899
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43781038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
CID 61468852
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
(1S)-N-[(1S)-1-(6-phenyl-2-pyridinyl)ethyl]-1-pyridin-2-ylethanamine
CID 11231963
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895435
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine (CID 43767328) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine is Cc1nc(C(C)(C)C)sc1C(C)NC(C)c1ccccn1.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is QUCHHWOBQLEERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-11(14-9-7-8-10-18-14)19-12(2)15-13(3)20-16(21-15)17(4,5)6/h7-12,19H,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 43767328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).