5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

C17H31N3S — CID 63916373

IUPAC5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C2CC2)c(CNC(C)(C)C)s1)C(C)C
InChIInChI=1S/C17H31N3S/c1-7-10-20(12(2)3)16-19-15(13-8-9-13)14(21-16)11-18-17(4,5)6/h12-13,18H,7-11H2,1-6H3
InChIKeySOZOQWAXFJTZRC-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.53
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (PubChem CID 63916373) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
PubChem CID63916373
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(C2CC2)c(CNC(C)(C)C)s1)C(C)C
InChIInChI=1S/C17H31N3S/c1-7-10-20(12(2)3)16-19-15(13-8-9-13)14(21-16)11-18-17(4,5)6/h12-13,18H,7-11H2,1-6H3
InChIKeySOZOQWAXFJTZRC-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-(2-methoxyethyl)-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965606
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916442
N-[[4-cyclopropyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114368103
N-[[4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367975
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-propyl-1,3-thiazol-2-amine
CID 79396156
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 63918309
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine (CID 63916373) is 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(C2CC2)c(CNC(C)(C)C)s1)C(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SOZOQWAXFJTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-7-10-20(12(2)3)16-19-15(13-8-9-13)14(21-16)11-18-17(4,5)6/h12-13,18H,7-11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-cyclopropyl-N-propan-2-yl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).