(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

C17H25N3OS — CID 125135935

IUPAC(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
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ncc(C2CC2)o1
InChIInChI=1S/C17H25N3OS/c1-10(2)17-19-11(3)16(22-17)12(4)20(5)9-15-18-8-14(21-15)13-6-7-13/h8,10,12-13H,6-7,9H2,1-5H3/t12-/m0/s1
InChIKeyIWOWYNRVNNDYIT-LBPRGKRZSA-N
MW319.47 g/mol
LogP4.63
Rot. Bonds6

About (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

(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 (PubChem CID 125135935) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125135935
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name(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
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ncc(C2CC2)o1
InChIInChI=1S/C17H25N3OS/c1-10(2)17-19-11(3)16(22-17)12(4)20(5)9-15-18-8-14(21-15)13-6-7-13/h8,10,12-13H,6-7,9H2,1-5H3/t12-/m0/s1
InChIKeyIWOWYNRVNNDYIT-LBPRGKRZSA-N
XLogP4.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1ncc(C2CC2)o1.
What is the InChIKey of (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?
The InChIKey is IWOWYNRVNNDYIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-10(2)17-19-11(3)16(22-17)12(4)20(5)9-15-18-8-14(21-15)13-6-7-13/h8,10,12-13H,6-7,9H2,1-5H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 319.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125135935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).