4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine

C12H17N3S2 — CID 82438273

IUPAC4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(C)nc2C(C)(C)C)cs1
InChIInChI=1S/C12H17N3S2/c1-7-14-10(12(2,3)4)9(17-7)8-6-16-11(13-5)15-8/h6H,1-5H3,(H,13,15)
InChIKeyRKLGFMIYPQZIGD-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine

4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82438273) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82438273
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(C)nc2C(C)(C)C)cs1
InChIInChI=1S/C12H17N3S2/c1-7-14-10(12(2,3)4)9(17-7)8-6-16-11(13-5)15-8/h6H,1-5H3,(H,13,15)
InChIKeyRKLGFMIYPQZIGD-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82438275
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 170209260
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]hydrazine
CID 7174025
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-methylurea
CID 126664102
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2902374

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine (CID 82438273) is 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2sc(C)nc2C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is RKLGFMIYPQZIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-7-14-10(12(2,3)4)9(17-7)8-6-16-11(13-5)15-8/h6H,1-5H3,(H,13,15).
What are the key properties of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine?
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82438273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).