[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone

C14H17N3OS — CID 1484819

IUPAC[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyKEHNGAHNKVLUSC-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.17
Rot. Bonds3

About [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 1484819) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID1484819
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyKEHNGAHNKVLUSC-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 1484819) is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone is CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is KEHNGAHNKVLUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17).
What are the key properties of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 275.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1484819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).