N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

C10H14N4OS — CID 115925127

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ncc(CNc2nnc(C(C)C)o2)s1
InChIInChI=1S/C10H14N4OS/c1-6(2)9-13-14-10(15-9)12-5-8-4-11-7(3)16-8/h4,6H,5H2,1-3H3,(H,12,14)
InChIKeyKJVUDDWZIDFSOR-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.57
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 115925127) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID115925127
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1ncc(CNc2nnc(C(C)C)o2)s1
InChIInChI=1S/C10H14N4OS/c1-6(2)9-13-14-10(15-9)12-5-8-4-11-7(3)16-8/h4,6H,5H2,1-3H3,(H,12,14)
InChIKeyKJVUDDWZIDFSOR-UHFFFAOYSA-N
XLogP2.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106970844
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115925258
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209607
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716
5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596399
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960412
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
3,3-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 112555963

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 115925127) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1ncc(CNc2nnc(C(C)C)o2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is KJVUDDWZIDFSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6(2)9-13-14-10(15-9)12-5-8-4-11-7(3)16-8/h4,6H,5H2,1-3H3,(H,12,14).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115925127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).