3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide

C14H25N3OS — CID 120503773

IUPAC3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25N3OS/c1-9(10(2)15)13(18)16-7-6-12-17-11(8-19-12)14(3,4)5/h8-10H,6-7,15H2,1-5H3,(H,16,18)
InChIKeyKKZDZHCZZPGTCI-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide

3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide (PubChem CID 120503773) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
PubChem CID120503773
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25N3OS/c1-9(10(2)15)13(18)16-7-6-12-17-11(8-19-12)14(3,4)5/h8-10H,6-7,15H2,1-5H3,(H,16,18)
InChIKeyKKZDZHCZZPGTCI-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-butan-2-yl-3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine
CID 111545331
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 79817868
(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 92628125
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104385
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide (CID 120503773) is 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide?
The InChIKey is KKZDZHCZZPGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(10(2)15)13(18)16-7-6-12-17-11(8-19-12)14(3,4)5/h8-10H,6-7,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide?
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide has a molecular weight of 283.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 120503773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).