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

C14H22N4S2 — CID 82439363

IUPAC4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CN(C)C)nc2C(C)(C)C)cs1
InChIInChI=1S/C14H22N4S2/c1-14(2,3)12-11(9-8-19-13(15-4)16-9)20-10(17-12)7-18(5)6/h8H,7H2,1-6H3,(H,15,16)
InChIKeyRIVOGCIWBBCKRP-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.67
Rot. Bonds4

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

4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 82439363) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID82439363
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2sc(CN(C)C)nc2C(C)(C)C)cs1
InChIInChI=1S/C14H22N4S2/c1-14(2,3)12-11(9-8-19-13(15-4)16-9)20-10(17-12)7-18(5)6/h8H,7H2,1-6H3,(H,15,16)
InChIKeyRIVOGCIWBBCKRP-UHFFFAOYSA-N
XLogP3.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
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-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82438275
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
5-(2-tert-butyl-1,3-thiazol-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 170209260
4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
CID 82439369

Frequently Asked Questions

What is the IUPAC name of 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine (CID 82439363) is 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2sc(CN(C)C)nc2C(C)(C)C)cs1.
What is the InChIKey of 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is RIVOGCIWBBCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-14(2,3)12-11(9-8-19-13(15-4)16-9)20-10(17-12)7-18(5)6/h8H,7H2,1-6H3,(H,15,16).
What are the key properties of 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine?
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 310.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82439363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).