N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine

C14H16N6S — CID 62942366

IUPACN-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C14H16N6S/c1-14(2,3)17-13-16-12(8-21-13)10-5-4-6-11(7-10)20-9-15-18-19-20/h4-9H,1-3H3,(H,16,17)
InChIKeyBBNNWHKYSSOWJA-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.00
Rot. Bonds3

About N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 62942366) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID62942366
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C14H16N6S/c1-14(2,3)17-13-16-12(8-21-13)10-5-4-6-11(7-10)20-9-15-18-19-20/h4-9H,1-3H3,(H,16,17)
InChIKeyBBNNWHKYSSOWJA-UHFFFAOYSA-N
XLogP3.00
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
CID 62922172
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47082768
2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 167837597
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
N-propyl-6-[3-(tetrazol-1-yl)phenyl]pyridazin-3-amine
CID 62203211
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
1-(3-propylphenyl)tetrazole
CID 130450814
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 62942366) is N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine is CC(C)(C)Nc1nc(-c2cccc(-n3cnnn3)c2)cs1.
What is the InChIKey of N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is BBNNWHKYSSOWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-14(2,3)17-13-16-12(8-21-13)10-5-4-6-11(7-10)20-9-15-18-19-20/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).