N-tert-butyl-3-methyl-1,2-thiazol-5-amine

C8H14N2S — CID 58337058

IUPACN-tert-butyl-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(NC(C)(C)C)sn1
InChIInChI=1S/C8H14N2S/c1-6-5-7(11-10-6)9-8(2,3)4/h5,9H,1-4H3
InChIKeyJPCBMILLFAODLU-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.66
Rot. Bonds1

About N-tert-butyl-3-methyl-1,2-thiazol-5-amine

N-tert-butyl-3-methyl-1,2-thiazol-5-amine (PubChem CID 58337058) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-1,2-thiazol-5-amine
PubChem CID58337058
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-tert-butyl-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(NC(C)(C)C)sn1
InChIInChI=1S/C8H14N2S/c1-6-5-7(11-10-6)9-8(2,3)4/h5,9H,1-4H3
InChIKeyJPCBMILLFAODLU-UHFFFAOYSA-N
XLogP2.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-tert-butyl-3-methyl-1,2-thiazol-5-amine (CID 58337058) is N-tert-butyl-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-methyl-1,2-thiazol-5-amine is Cc1cc(NC(C)(C)C)sn1.
What is the InChIKey of N-tert-butyl-3-methyl-1,2-thiazol-5-amine?
The InChIKey is JPCBMILLFAODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-5-7(11-10-6)9-8(2,3)4/h5,9H,1-4H3.
What are the key properties of N-tert-butyl-3-methyl-1,2-thiazol-5-amine?
N-tert-butyl-3-methyl-1,2-thiazol-5-amine has a molecular weight of 170.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58337058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).