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

C14H21N3S2 — CID 82438275

IUPAC4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C(C)(C)C)c(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C14H21N3S2/c1-8(2)15-13-17-10(7-18-13)11-12(14(4,5)6)16-9(3)19-11/h7-8H,1-6H3,(H,15,17)
InChIKeySABLQUTZTUIPQS-UHFFFAOYSA-N
MW295.48 g/mol
LogP4.69
Rot. Bonds3

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

4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82438275) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82438275
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(C(C)(C)C)c(-c2csc(NC(C)C)n2)s1
InChIInChI=1S/C14H21N3S2/c1-8(2)15-13-17-10(7-18-13)11-12(14(4,5)6)16-9(3)19-11/h7-8H,1-6H3,(H,15,17)
InChIKeySABLQUTZTUIPQS-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 54.69
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-methyl-1,3-thiazol-2-amine
CID 82438273
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58584175
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 841733
N,N-dimethyl-4-propan-2-yl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82435562
4-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82427609
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 82438275) is 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine is Cc1nc(C(C)(C)C)c(-c2csc(NC(C)C)n2)s1.
What is the InChIKey of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is SABLQUTZTUIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-8(2)15-13-17-10(7-18-13)11-12(14(4,5)6)16-9(3)19-11/h7-8H,1-6H3,(H,15,17).
What are the key properties of 4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 295.48 g/mol, XLogP of 4.69, 3 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-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82438275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).