4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine

C17H31N3S — CID 107402320

IUPAC4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)CC2CCC2)nc1C(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-18-11-14-15(17(3,4)5)19-16(21-14)20(7-2)12-13-9-8-10-13/h13,18H,6-12H2,1-5H3
InChIKeyYDUFITCBRWYVCU-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.18
Rot. Bonds7

About 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 107402320) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
PubChem CID107402320
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)CC2CCC2)nc1C(C)(C)C
InChIInChI=1S/C17H31N3S/c1-6-18-11-14-15(17(3,4)5)19-16(21-14)20(7-2)12-13-9-8-10-13/h13,18H,6-12H2,1-5H3
InChIKeyYDUFITCBRWYVCU-UHFFFAOYSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine (CID 107402320) is 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(CC)CC2CCC2)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is YDUFITCBRWYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-18-11-14-15(17(3,4)5)19-16(21-14)20(7-2)12-13-9-8-10-13/h13,18H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyclobutylmethyl)-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107402320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).