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

C17H31N3S — CID 62767959

IUPACN-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H31N3S/c1-7-12(3)20(8-2)16-19-15(17(4,5)6)14(21-16)11-18-13-9-10-13/h12-13,18H,7-11H2,1-6H3
InChIKeyIRCHEMUYVHUXJW-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.32
Rot. Bonds7

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

N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 62767959) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID62767959
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCC(C)N(CC)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H31N3S/c1-7-12(3)20(8-2)16-19-15(17(4,5)6)14(21-16)11-18-13-9-10-13/h12-13,18H,7-11H2,1-6H3
InChIKeyIRCHEMUYVHUXJW-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767757
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62769296
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768303
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine (CID 62767959) is N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine is CCC(C)N(CC)c1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is IRCHEMUYVHUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-7-12(3)20(8-2)16-19-15(17(4,5)6)14(21-16)11-18-13-9-10-13/h12-13,18H,7-11H2,1-6H3.
What are the key properties of N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine?
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).