N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C12H17N3OS — CID 103893766

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2scnc2C)o1
InChIInChI=1S/C12H17N3OS/c1-7-5-13-12(16-7)10(4)15-9(3)11-8(2)14-6-17-11/h5-6,9-10,15H,1-4H3
InChIKeyQWEYLVOUFNBKGC-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 103893766) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID103893766
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2scnc2C)o1
InChIInChI=1S/C12H17N3OS/c1-7-5-13-12(16-7)10(4)15-9(3)11-8(2)14-6-17-11/h5-6,9-10,15H,1-4H3
InChIKeyQWEYLVOUFNBKGC-UHFFFAOYSA-N
XLogP3.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 71928374
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 72114614
(1S)-N-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 125135935
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 136545868
8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554569
8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23555064
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61193336
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 65964429
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine
CID 65967029
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-3-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71865650
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]butan-2-amine
CID 71868861
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide
CID 71872531

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 103893766) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1cnc(C(C)NC(C)c2scnc2C)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QWEYLVOUFNBKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-5-13-12(16-7)10(4)15-9(3)11-8(2)14-6-17-11/h5-6,9-10,15H,1-4H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 251.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 103893766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).